data_NiBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   151.38
_cell_angle_beta   136.34
_cell_angle_gamma   53.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBi2Sb
_chemical_formula_sum   'Ni1 Bi2 Sb1'
_cell_volume   102.71
_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
  Ni  Ni2  1  0.0  0.0  0.16  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.68  0.0  0.9  1.0
  Sb  Sb3  1  0.0  0.52  0.08  1.0

data_NiBi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.05
_cell_length_c   6.78
_cell_angle_alpha   111.83
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBi2Sb
_chemical_formula_sum   'Ni1 Bi2 Sb1'
_cell_volume   102.71
_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
  Ni  Ni0  1  0.0  0.16  0.16  1.0
  Bi  Bi1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.9  0.22  1.0
  Sb  Sb3  1  0.48  0.56  0.56  1.0

Ni Bi Bi Sb