data_BiSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   145.8
_cell_angle_beta   135.39
_cell_angle_gamma   57.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSeCl2
_chemical_formula_sum   'Bi1 Se1 Cl2'
_cell_volume   104.67
_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  0.45  0.48  1.0
  Se  Se3  1  0.0  0.0  0.14  1.0
  Cl  Cl1  1  0.0  0.0  0.03  1.0
  Cl  Cl2  1  0.89  0.0  0.95  1.0

data_BiSeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.89
_cell_length_c   6.44
_cell_angle_alpha   112.31
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSeCl2
_chemical_formula_sum   'Bi1 Se1 Cl2'
_cell_volume   104.67
_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  0.55  0.04  0.04  1.0
  Se  Se1  1  0.0  0.14  0.14  1.0
  Cl  Cl2  1  0.0  0.03  0.03  1.0
  Cl  Cl3  1  0.0  0.95  0.06  1.0

Bi Se Cl Cl