data_Bi2TePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.02
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2TePt
_chemical_formula_sum   'Bi2 Te1 Pt1'
_cell_volume   110.81
_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  0.04  0.01  0.58  1.0
  Bi  Bi1  1  0.83  0.0  0.56  1.0
  Te  Te3  1  0.89  0.0  0.94  1.0
  Pt  Pt2  1  0.86  0.01  0.76  1.0

data_Bi2TePt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.1
_cell_length_b   4.02
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Bi2TePt
_chemical_formula_sum   'Bi2 Te1 Pt1'
_cell_volume   110.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.04  0.0  0.58  1.0
  Bi  Bi1  1  0.83  0.0  0.56  1.0
  Te  Te2  1  0.89  0.0  0.94  1.0
  Pt  Pt3  1  0.86  0.0  0.76  1.0

Bi Bi Te Pt
Bi Bi Te Pt 0 1 - o o 1 3 o o o 2 3 o o o 