data_Gd3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3Mg
_chemical_formula_sum   'Gd6 Mg2'
_cell_volume   241.81
_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  0.09  0.18  1.0
  Gd  Gd1  1  0.27  0.08  0.18  1.0
  Gd  Gd2  1  0.73  0.08  0.18  1.0
  Gd  Gd3  1  0.81  0.05  0.39  1.0
  Gd  Gd4  1  0.27  0.05  0.39  1.0
  Gd  Gd5  1  0.54  0.04  0.39  1.0
  Mg  Mg6  1  0.54  0.04  0.18  1.0
  Mg  Mg7  1  0.0  0.09  0.39  1.0

data_Gd3Mg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.57
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Gd3Mg
_chemical_formula_sum   'Gd6 Mg2'
_cell_volume   241.81
_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  0.11  0.27  0.97  1.0
  Gd  Gd1  2  0.11  0.54  0.98  1.0
  Gd  Gd2  2  0.11  1.0  0.98  1.0
  Mg  Mg3  2  0.11  0.73  0.02  1.0

Gd Gd Gd Gd Gd Gd Mg Mg
Gd Gd Gd Gd Gd Gd Mg Mg 0 7 o o o 1 4 o o o 2 6 o o o 2 3 o o o 3 7 + o o 5 6 o o o 