data_BiTe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTe2Pt
_chemical_formula_sum   'Bi1 Te2 Pt1'
_cell_volume   99.86
_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  0.62  0.0  0.0  1.0
  Te  Te2  1  0.81  0.16  0.88  1.0
  Te  Te3  1  0.81  0.84  0.88  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0

data_BiTe2Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.76
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BiTe2Pt
_chemical_formula_sum   'Bi1 Te2 Pt1'
_cell_volume   99.87
_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  -0.0  0.0  0.62  1.0
  Te  Te1  2  0.88  0.16  0.81  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

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