data_[Ca4Al2Pt2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3702]
_cell_length_b [5.4710]
_cell_length_c [9.3242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2AlPtO6]
_chemical_formula_sum '[Ca4 Al2 Pt2 O12]'
_cell_volume [223.8190]
_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  0.2612  0.5495  0.7502  1.0
  Al  Al1  2  0.5000  0.0000  0.0000  1.0
  Pt  Pt2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1718  0.5214  0.2569  1.0
  O  O4  4  0.2522  0.1990  0.0432  1.0
  O  O5  4  0.3483  0.7120  0.0452  1.0
]