data_Bi2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   7.35
_cell_angle_alpha   106.12
_cell_angle_beta   106.12
_cell_angle_gamma   56.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SbSe
_chemical_formula_sum   'Bi2 Sb1 Se1'
_cell_volume   121.82
_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  0.28  0.0  0.28  1.0
  Bi  Bi1  1  0.5  0.0  0.69  1.0
  Sb  Sb2  1  0.89  0.0  0.49  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Bi2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.59
_cell_length_c   7.35
_cell_angle_alpha   106.12
_cell_angle_beta   90.0
_cell_angle_gamma   118.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SbSe
_chemical_formula_sum   'Bi2 Sb1 Se1'
_cell_volume   121.82
_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  0.5  0.31  1.0
  Bi  Bi1  1  0.0  0.72  0.72  1.0
  Sb  Sb2  1  0.0  0.11  0.51  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Bi Bi Sb Se