data_NbNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   4.97
_cell_angle_alpha   110.93
_cell_angle_beta   110.93
_cell_angle_gamma   32.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiSn2
_chemical_formula_sum   'Nb1 Ni1 Sn2'
_cell_volume   74.93
_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  0.65  0.0  0.06  1.0
  Ni  Ni1  1  0.94  0.0  0.79  1.0
  Sn  Sn2  1  0.61  0.0  0.27  1.0
  Sn  Sn3  1  0.44  0.0  0.42  1.0

data_NbNiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.97
_cell_length_c   5.48
_cell_angle_alpha   110.93
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiSn2
_chemical_formula_sum   'Nb1 Ni1 Sn2'
_cell_volume   74.93
_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  0.06  0.65  1.0
  Ni  Ni1  1  0.0  0.79  0.94  1.0
  Sn  Sn2  1  0.0  0.27  0.61  1.0
  Sn  Sn3  1  0.0  0.42  0.44  1.0

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