data_Pr3Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Sc
_chemical_formula_sum   'Pr6 Sc2'
_cell_volume   267.25
_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  Pr0  1  0.86  0.07  0.47  1.0
  Pr  Pr1  1  0.62  0.13  0.47  1.0
  Pr  Pr2  1  0.39  0.07  0.47  1.0
  Pr  Pr3  1  0.77  0.2  0.41  1.0
  Pr  Pr4  1  0.23  0.2  0.41  1.0
  Pr  Pr5  1  0.0  0.14  0.41  1.0
  Sc  Sc6  1  0.62  0.09  0.41  1.0
  Sc  Sc7  1  0.0  0.18  0.47  1.0

data_Pr3Sc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.87
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pr3Sc
_chemical_formula_sum   'Pr6 Sc2'
_cell_volume   267.25
_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  0.03  0.08  0.93  1.0
  Pr  Pr1  2  0.03  0.31  0.99  1.0
  Pr  Pr2  2  0.03  0.54  0.93  1.0
  Sc  Sc3  2  0.03  0.69  0.05  1.0

Pr Pr Pr Pr Pr Pr Sc Sc