data_Pr3Mg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   89.17
_cell_angle_beta   89.17
_cell_angle_gamma   89.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Mg2
_chemical_formula_sum   'Pr6 Mg4'
_cell_volume   297.67
_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
  Pr  Pr4  1  0.65  0.29  0.89  1.0
  Pr  Pr5  1  0.83  0.92  0.89  1.0
  Pr  Pr6  1  0.52  0.78  0.89  1.0
  Pr  Pr7  1  0.48  0.22  0.84  1.0
  Pr  Pr8  1  0.17  0.08  0.84  1.0
  Pr  Pr9  1  0.35  0.71  0.84  1.0
  Mg  Mg0  1  0.0  0.0  0.42  1.0
  Mg  Mg1  1  0.0  0.0  0.45  1.0
  Mg  Mg2  1  0.0  0.0  0.28  1.0
  Mg  Mg3  1  0.0  0.0  0.32  1.0

data_Pr3Mg2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   89.17
_cell_angle_beta   89.17
_cell_angle_gamma   89.17
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pr3Mg2
_chemical_formula_sum   'Pr6 Mg4'
_cell_volume   297.67
_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
  Pr  Pr0  2  0.08  0.17  0.98  1.0
  Pr  Pr1  2  0.22  0.48  0.98  1.0
  Pr  Pr2  2  0.29  0.65  0.02  1.0
  Mg  Mg3  2  0.0  0.0  0.42  1.0
  Mg  Mg4  2  0.0  0.0  0.45  1.0

Pr Pr Pr Pr Pr Pr Mg Mg Mg Mg