data_[Bi20Te4Pt12]
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 [C2/m]
_cell_length_a [12.0003]
_cell_length_b [9.0607]
_cell_length_c [10.2414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi5TePt3]
_chemical_formula_sum '[Bi20 Te4 Pt12]'
_cell_volume [1052.9086]
_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
[
  Bi  Bi0  8  0.1899  0.2016  0.6234  1
  Bi  Bi1  4  0.0000  0.3057  0.0000  1
  Bi  Bi2  4  0.0636  0.5000  0.3784  1
  Bi  Bi3  4  0.2422  0.0000  0.0354  1
  Te  Te4  4  0.0840  0.0000  0.2828  1
  Pt  Pt5  4  0.1635  0.5000  0.1778  1
  Pt  Pt6  4  0.1752  0.5000  0.6788  1
  Pt  Pt7  2  0.0000  0.0000  0.0000  1
  Pt  Pt8  2  0.0000  0.0000  0.5000  1
]