data_[Ca12Bi12Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7220]
_cell_length_b [11.3546]
_cell_length_c [15.9867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca3Bi3Pt2]
_chemical_formula_sum '[Ca12 Bi12 Pt8]'
_cell_volume [857.1541]
_cell_formula_units_Z [4]
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  8  0.0000  0.0807  0.6123  1
  Ca  Ca1  4  0.0000  0.3571  0.7500  1
  Bi  Bi2  8  0.0000  0.3666  0.5320  1
  Bi  Bi3  4  0.0000  0.3476  0.2500  1
  Pt  Pt4  8  0.0000  0.1950  0.1113  1
]