data_BiAs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   147.06
_cell_angle_beta   126.2
_cell_angle_gamma   64.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs2Se
_chemical_formula_sum   'Bi1 As2 Se1'
_cell_volume   125.4
_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  Bi2  1  0.87  0.0  0.62  1.0
  As  As0  1  0.0  0.99  0.58  1.0
  As  As1  1  0.0  0.0  0.53  1.0
  Se  Se3  1  0.0  0.0  0.63  1.0

data_BiAs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.98
_cell_length_c   6.61
_cell_angle_alpha   116.9
_cell_angle_beta   106.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs2Se
_chemical_formula_sum   'Bi1 As2 Se1'
_cell_volume   125.4
_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  0.26  0.38  0.26  1.0
  As  As1  1  0.42  0.41  0.41  1.0
  As  As2  1  0.47  0.47  0.47  1.0
  Se  Se3  1  0.37  0.37  0.37  1.0

Bi As As Se