data_NbInRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   143.87
_cell_angle_beta   143.87
_cell_angle_gamma   52.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInRe
_chemical_formula_sum   'Nb1 In1 Re1'
_cell_volume   54.48
_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  0.06  1.0
  In  In0  1  0.0  0.0  0.03  1.0
  Re  Re2  1  0.0  0.0  0.62  1.0

data_NbInRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   116.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbInRe
_chemical_formula_sum   'Nb2 In2 Re2'
_cell_volume   108.96
_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
  Nb  Nb0  2  0.0  0.0  0.94  1.0
  In  In1  2  0.0  0.0  0.97  1.0
  Re  Re2  2  0.0  0.0  0.38  1.0

Nb In Re
Nb In Re 0 1 o o o 0 2 o o - 1 2 o o - 