data_[Ca2Ce2Os2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.5916]
_cell_length_b [5.5916]
_cell_length_c [9.6279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [CaCeOsO6]
_chemical_formula_sum '[Ca2 Ce2 Os2 O12]'
_cell_volume [260.6947]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  2  0.3333  0.6667  0.7500  1.0
  Os  Os2  2  0.3333  0.6667  0.2500  1.0
  O  O3  12  0.0427  0.3788  0.1385  1.0
]