data_BiTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTe2Cl
_chemical_formula_sum   'Bi1 Te2 Cl1'
_cell_volume   117.76
_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  0.93  0.0  0.0  1.0
  Te  Te2  1  0.47  0.45  0.05  1.0
  Te  Te3  1  0.47  0.55  0.05  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_BiTe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   118.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTe2Cl
_chemical_formula_sum   'Bi1 Te2 Cl1'
_cell_volume   117.76
_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  0.93  0.0  1.0
  Te  Te1  1  0.05  0.47  0.45  1.0
  Te  Te2  1  0.05  0.47  0.55  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Bi Te Te Cl
Bi Te Te Cl 0 3 + o o 1 2 o o o 