data_Nb2InNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   132.53
_cell_angle_beta   132.53
_cell_angle_gamma   69.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InNi
_chemical_formula_sum   'Nb2 In1 Ni1'
_cell_volume   68.21
_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  Nb1  1  0.0  0.0  0.14  1.0
  Nb  Nb2  1  0.0  0.03  0.07  1.0
  In  In0  1  0.03  0.0  0.07  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Nb2InNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.04
_cell_angle_alpha   113.74
_cell_angle_beta   113.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InNi
_chemical_formula_sum   'Nb2 In1 Ni1'
_cell_volume   68.21
_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  0.04  0.07  0.04  1.0
  Nb  Nb1  1  0.14  0.14  0.14  1.0
  In  In2  1  0.07  0.04  0.04  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Nb Nb In Ni
Nb Nb In Ni 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 