data_[Bi6Te2Pt2]
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 [P2_1/m]
_cell_length_a [8.6002]
_cell_length_b [4.3078]
_cell_length_c [9.1588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Bi3TePt]
_chemical_formula_sum '[Bi6 Te2 Pt2]'
_cell_volume [306.7564]
_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  2  0.1337  0.7500  0.6507  1
  Bi  Bi1  2  0.1852  0.7500  0.2864  1
  Bi  Bi2  2  0.2669  0.2500  0.0126  1
  Te  Te3  2  0.4299  0.2500  0.7154  1
  Pt  Pt4  2  0.0162  0.7500  0.8988  1
]