data_Bi2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   7.14
_cell_angle_alpha   111.59
_cell_angle_beta   111.59
_cell_angle_gamma   44.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SeCl
_chemical_formula_sum   'Bi2 Se1 Cl1'
_cell_volume   125.95
_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  0.66  0.0  0.49  1.0
  Bi  Bi1  1  0.22  0.0  0.07  1.0
  Se  Se3  1  0.44  0.0  0.28  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Bi2SeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.24
_cell_length_c   7.14
_cell_angle_alpha   68.52
_cell_angle_beta   73.91
_cell_angle_gamma   67.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SeCl
_chemical_formula_sum   'Bi2 Se1 Cl1'
_cell_volume   125.95
_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  0.15  0.07  1.0
  Bi  Bi1  1  0.0  0.17  0.49  1.0
  Se  Se2  1  0.0  0.16  0.28  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Bi Bi Se Cl