data_NbNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   133.12
_cell_angle_beta   133.12
_cell_angle_gamma   68.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Sb
_chemical_formula_sum   'Nb1 Ni2 Sb1'
_cell_volume   60.54
_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
  Nb  Nb0  1  0.0  0.0  0.03  1.0
  Ni  Ni1  1  0.0  0.94  0.01  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.94  0.0  0.01  1.0

data_NbNi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.87
_cell_angle_alpha   113.44
_cell_angle_beta   113.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Sb
_chemical_formula_sum   'Nb1 Ni2 Sb1'
_cell_volume   60.54
_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
  Nb  Nb0  1  0.97  0.0  0.97  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.92  0.94  0.92  1.0
  Sb  Sb3  1  0.99  0.0  0.92  1.0

Nb Ni Ni Sb
Nb Ni Ni Sb 0 2 o o o 0 1 o - o 0 3 - o o 