data_[Bi4Te2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6128]
_cell_length_b [8.6128]
_cell_length_c [3.2695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Bi2TePt2]
_chemical_formula_sum '[Bi4 Te2 Pt4]'
_cell_volume [242.5322]
_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
[
  Bi  Bi0  4  0.1728  0.3272  0.0000  1
  Te  Te1  2  0.0000  0.0000  0.0000  1
  Pt  Pt2  4  0.1151  0.6151  0.5000  1
]