data_global
_amcsd_formula_title 'Na2CaGe2O6'
loop_
_publ_author_name
'Nishi F'
'Takeuchi Y'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 544
_journal_page_last 546
_publ_section_title
;
 Structure of sodium calcium germanate Na2CaGe2O6
;
_database_code_amcsd 0010123
_chemical_formula_sum 'Ge2 (Ca1.003 Na1.997) O6'
_cell_length_a 10.788
_cell_length_b 10.788
_cell_length_c 13.460
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1356.618
_exptl_crystal_density_diffrn      3.606
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ge   0.15040  -0.15040   0.56698   1.00000   0.01545
CaM1   0.00000   0.00000   0.24730   0.35000   0.02444
NaM1   0.00000   0.00000   0.24730   0.65000   0.02444
CaM2   0.50000   0.00000   0.00000   0.10000   0.05104
NaM2   0.50000   0.00000   0.00000   0.90000   0.05104
CaM3   0.50000   0.00000   0.50000   0.39000   0.03014
NaM3   0.50000   0.00000   0.50000   0.61000   0.03014
CaM4   0.00000   0.00000   0.00000   0.84000   0.03052
NaM4   0.00000   0.00000   0.00000   0.16000   0.03052
O1   0.27830   0.02350   0.52670   0.50000   0.03800
O2   0.08260  -0.14510   0.67990   0.50000   0.02533
O3   0.26970  -0.21290   0.55250   0.50000   0.03420