data_[Ca4Cr2Os2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cr  1.6600  1.4000  0.9400
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4955]
_cell_length_b [5.4912]
_cell_length_c [5.5139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2CrOsO6]
_chemical_formula_sum '[Ca4 Cr2 Os2 O12]'
_cell_volume [233.8885]
_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  4  0.2500  0.0000  0.7669  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  Os  Os2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0538  0.2501  0.8016  1.0
  O  O4  4  0.2476  0.5000  0.6513  1.0
]