data_Bi2TePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2TePt
_chemical_formula_sum   'Bi2 Te1 Pt1'
_cell_volume   106.86
_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
  Bi  Bi0  1  0.33  0.0  0.01  1.0
  Bi  Bi1  1  0.0  0.0  0.43  1.0
  Te  Te3  1  0.0  0.0  0.94  1.0
  Pt  Pt2  1  0.33  0.0  0.64  1.0

data_Bi2TePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2TePt
_chemical_formula_sum   'Bi2 Te1 Pt1'
_cell_volume   106.86
_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
  Bi  Bi0  1  0.0  0.0  0.43  1.0
  Bi  Bi1  1  0.33  0.0  0.01  1.0
  Te  Te2  1  0.0  0.0  0.94  1.0
  Pt  Pt3  1  0.33  0.0  0.64  1.0

Bi Bi Te Pt