data_Ni2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2BiSb
_chemical_formula_sum   'Ni2 Bi1 Sb1'
_cell_volume   79.56
_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  Ni1  1  0.0  0.0  0.33  1.0
  Ni  Ni2  1  0.64  0.64  0.61  1.0
  Bi  Bi0  1  0.64  0.64  0.19  1.0
  Sb  Sb3  1  0.0  0.0  0.94  1.0

data_Ni2BiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2BiSb
_chemical_formula_sum   'Ni4 Bi2 Sb2'
_cell_volume   159.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.33  1.0
  Ni  Ni1  2  0.14  0.5  0.61  1.0
  Bi  Bi2  2  0.14  0.5  0.19  1.0
  Sb  Sb3  2  0.0  0.0  0.94  1.0

Ni Ni Bi Sb
Ni Ni Bi Sb 0 2 - - o 0 1 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 3 o o - 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o o 2 3 + + - 2 3 + o - 2 3 o + - 3 3 + o o 3 3 o + o 