data_global
_amcsd_formula_title 'Ca2 Nd O6 Ru'
loop_
_publ_author_name
'Battle P'
'Jones C'
'Studer F'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 90 
_journal_year 1991
_journal_page_first 302
_journal_page_last 312
_publ_section_title
;
 The crystal and magnetic structures of Ca2NdRuO6, Ca2HoRuO6 and
 Sr2ErRuO6
 _cod_database_code 1001475
;
_database_code_amcsd 0013701
_chemical_formula_sum 'Ca2 Nd Ru O6'
_cell_length_a 5.5439
_cell_length_b 5.8282
_cell_length_c 7.9931
_cell_angle_alpha 90
_cell_angle_beta 90.06
_cell_angle_gamma 90
_cell_volume 258.265
_exptl_crystal_density_diffrn      5.420
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1   0.51600   0.56120   0.25450   0.50000
Nd1   0.51600   0.56120   0.25450   0.50000
Ca2   0.00000   0.50000   0.00000   1.00000
Ru1   0.50000   0.00000   0.00000   1.00000
O1   0.21320   0.17730  -0.05230   1.00000
O2   0.32870   0.71850  -0.06710   1.00000
O3   0.38770  -0.05010   0.22910   1.00000