data_BiSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   141.16
_cell_angle_beta   141.16
_cell_angle_gamma   56.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSbAs2
_chemical_formula_sum   'Bi1 Sb1 As2'
_cell_volume   99.75
_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  0.11  0.0  0.8  1.0
  Sb  Sb3  1  0.0  0.0  0.6  1.0
  As  As0  1  0.0  0.11  0.8  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_BiSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   6.35
_cell_angle_alpha   109.42
_cell_angle_beta   109.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSbAs2
_chemical_formula_sum   'Bi1 Sb1 As2'
_cell_volume   99.75
_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  0.8  0.69  0.69  1.0
  Sb  Sb1  1  0.6  0.6  0.6  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.69  0.8  0.69  1.0

Bi Sb As As
Bi Sb As As 0 2 o o o 0 1 o o o 0 3 o o + 1 2 o o o 2 3 o o + 