data_GdNb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdNb3
_chemical_formula_sum   'Gd2 Nb6'
_cell_volume   174.97
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.0  0.64  0.27  1.0
  Gd  Gd1  1  0.15  0.82  0.81  1.0
  Nb  Nb2  1  0.0  0.6  0.81  1.0
  Nb  Nb3  1  0.77  0.66  0.81  1.0
  Nb  Nb4  1  0.23  0.66  0.81  1.0
  Nb  Nb5  1  0.15  0.86  0.27  1.0
  Nb  Nb6  1  0.39  0.8  0.27  1.0
  Nb  Nb7  1  0.92  0.8  0.27  1.0

data_GdNb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.08
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GdNb3
_chemical_formula_sum   'Gd2 Nb6'
_cell_volume   174.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Gd  Gd0  2  0.23  0.92  0.41  1.0
  Nb  Nb1  2  0.23  0.08  0.63  1.0
  Nb  Nb2  2  0.23  0.31  0.57  1.0
  Nb  Nb3  2  0.23  0.84  0.57  1.0

Gd Gd Nb Nb Nb Nb Nb Nb