data_Nb2ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.07
_cell_angle_alpha   98.45
_cell_angle_beta   98.45
_cell_angle_gamma   32.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReNi
_chemical_formula_sum   'Nb2 Re1 Ni1'
_cell_volume   62.63
_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  0.67  0.0  0.2  1.0
  Nb  Nb1  1  0.87  0.0  0.81  1.0
  Re  Re3  1  0.27  0.0  0.5  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Nb2ReNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.85
_cell_length_c   5.07
_cell_angle_alpha   98.45
_cell_angle_beta   90.0
_cell_angle_gamma   106.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReNi
_chemical_formula_sum   'Nb2 Re1 Ni1'
_cell_volume   62.63
_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  0.13  0.19  1.0
  Nb  Nb1  1  0.0  0.33  0.8  1.0
  Re  Re2  1  0.0  0.73  0.5  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Nb Nb Re Ni