data_NbCo2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.65
_cell_angle_alpha   99.24
_cell_angle_beta   99.24
_cell_angle_gamma   34.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Re
_chemical_formula_sum   'Nb1 Co2 Re1'
_cell_volume   53.69
_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  Nb2  1  0.99  0.0  0.44  1.0
  Co  Co0  1  0.69  0.0  0.09  1.0
  Co  Co1  1  0.67  0.0  0.43  1.0
  Re  Re3  1  0.31  0.0  0.92  1.0

data_NbCo2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.57
_cell_length_c   4.65
_cell_angle_alpha   99.24
_cell_angle_beta   90.0
_cell_angle_gamma   107.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Re
_chemical_formula_sum   'Nb1 Co2 Re1'
_cell_volume   53.69
_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  0.0  0.01  0.56  1.0
  Co  Co1  1  0.0  0.31  0.91  1.0
  Co  Co2  1  0.0  0.33  0.57  1.0
  Re  Re3  1  0.0  0.69  0.08  1.0

Nb Co Co Re