data_[Ca4Bi5Pt2]
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 [P2/m]
_cell_length_a [7.9991]
_cell_length_b [4.1495]
_cell_length_c [9.5192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca4Bi5Pt2]
_chemical_formula_sum '[Ca4 Bi5 Pt2]'
_cell_volume [315.2577]
_cell_formula_units_Z [1]
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  0.2024  0.5000  0.8468  1.0
  Ca  Ca1  2  0.2098  0.5000  0.4285  1.0
  Bi  Bi2  2  0.1321  0.0000  0.1396  1.0
  Bi  Bi3  2  0.4528  0.0000  0.6625  1.0
  Bi  Bi4  1  0.5000  0.0000  0.0000  1.0
  Pt  Pt5  2  0.0863  0.0000  0.6303  1.0
]