data_global
_amcsd_formula_title 'La7 Mo7 O30'
loop_
_publ_author_name
'Goutenoire F'
'Retoux R'
'Suard E'
'Lacorre P'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 142 
_journal_year 1999
_journal_page_first 228
_journal_page_last 235
_publ_section_title
;
 Ab initio determination of the novel perovskite-related structure of
 La7 Mo7 O30 from powder diffraction
 _cod_database_code 1000501
;
_database_code_amcsd 0013957
_chemical_formula_sum 'La7 Mo7 O30'
_cell_length_a 17.00639
_cell_length_b 17.00639
_cell_length_c 6.8613
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1718.547
_exptl_crystal_density_diffrn      6.157
_symmetry_space_group_name_H-M 'R -3'
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'
  '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
La1   0.00000   0.00000   0.00000
Mo1   0.00000   0.00000   0.50000
La2   0.78000  -0.01670   0.33420
Mo2   0.20010   0.01310   0.16600
O1   0.24800   0.08900   0.34300
O2   0.29300   0.03900  -0.00300
O3   0.18200   0.12400   0.01400
O4   0.20400  -0.07500   0.31900
O5   0.03600   0.10400   0.31900