data_Nb2ZnRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.61
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   97.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnRe
_chemical_formula_sum   'Nb2 Zn1 Re1'
_cell_volume   65.69
_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  0.01  0.3  0.11  1.0
  Nb  Nb1  1  0.83  0.0  0.41  1.0
  Zn  Zn3  1  0.41  0.0  0.96  1.0
  Re  Re2  1  0.87  0.3  0.5  1.0

data_Nb2ZnRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.61
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   97.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnRe
_chemical_formula_sum   'Nb2 Zn1 Re1'
_cell_volume   65.69
_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  0.01  0.3  0.11  1.0
  Nb  Nb1  1  0.83  0.0  0.41  1.0
  Zn  Zn2  1  0.41  0.0  0.96  1.0
  Re  Re3  1  0.87  0.3  0.5  1.0

Nb Nb Zn Re
Nb Nb Zn Re 0 2 - o - 0 2 o o - 0 1 - o o 0 3 - o o 1 3 o o o 1 2 o o - 