data_NbReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.32
_cell_length_c   2.83
_cell_angle_alpha   81.45
_cell_angle_beta   73.22
_cell_angle_gamma   25.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbReSi
_chemical_formula_sum   'Nb1 Re1 Si1'
_cell_volume   45.95
_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  0.63  0.31  0.15  1.0
  Re  Re1  1  0.63  0.31  0.26  1.0
  Si  Si2  1  0.63  0.31  0.02  1.0

data_NbReSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.26
_cell_length_b   12.22
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   125.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbReSi
_chemical_formula_sum   'Nb2 Re2 Si2'
_cell_volume   91.9
_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  0.41  0.5  0.22  1.0
  Si  Si1  2  0.04  0.0  0.35  1.0
  Re  Re2  2  0.3  0.5  0.11  1.0

Nb Re Si
Nb Re Si 0 2 o o o 0 1 o o o 