data_NbZnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   145.0
_cell_angle_beta   130.42
_cell_angle_gamma   62.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnRe2
_chemical_formula_sum   'Nb1 Zn1 Re2'
_cell_volume   62.38
_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  0.2  0.33  1.0
  Zn  Zn3  1  0.0  0.0  0.43  1.0
  Re  Re1  1  0.0  0.0  0.06  1.0
  Re  Re2  1  0.58  0.0  0.16  1.0

data_NbZnRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.4
_cell_length_c   5.25
_cell_angle_alpha   114.79
_cell_angle_beta   107.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnRe2
_chemical_formula_sum   'Nb1 Zn1 Re2'
_cell_volume   62.38
_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  0.87  0.87  1.0
  Zn  Zn1  1  0.57  0.57  0.57  1.0
  Re  Re2  1  0.41  0.84  0.41  1.0
  Re  Re3  1  0.94  0.94  0.94  1.0

Nb Zn Re Re