data_BiSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSe2Cl
_chemical_formula_sum   'Bi1 Se2 Cl1'
_cell_volume   102.08
_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  0.67  0.0  0.0  1.0
  Se  Se2  1  0.34  0.31  0.06  1.0
  Se  Se3  1  0.34  0.69  0.06  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_BiSe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   119.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSe2Cl
_chemical_formula_sum   'Bi1 Se2 Cl1'
_cell_volume   102.08
_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  0.67  0.0  1.0
  Se  Se1  1  0.06  0.34  0.31  1.0
  Se  Se2  1  0.06  0.34  0.69  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Bi Se Se Cl