data_BiTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   34.1
_cell_angle_beta   34.1
_cell_angle_gamma   34.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTePt2
_chemical_formula_sum   'Bi1 Te1 Pt2'
_cell_volume   91.43
_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  0.72  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.45  1.0
  Pt  Pt2  1  0.0  0.0  0.99  1.0

data_BiTePt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.99
_cell_length_b   4.04
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   109.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiTePt2
_chemical_formula_sum   'Bi2 Te2 Pt4'
_cell_volume   182.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.28  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.0  0.0  0.01  1.0
  Pt  Pt3  2  0.0  0.0  0.55  1.0

Bi Te Pt Pt