data_Pr3Lu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Lu
_chemical_formula_sum   'Pr6 Lu2'
_cell_volume   279.39
_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  0.5  1.0
  Pr  Pr1  1  0.49  0.07  0.5  1.0
  Pr  Pr2  1  0.67  0.21  0.5  1.0
  Pr  Pr3  1  0.81  0.29  0.49  1.0
  Pr  Pr4  1  0.19  0.29  0.49  1.0
  Pr  Pr5  1  0.0  0.15  0.49  1.0
  Lu  Lu6  1  0.67  0.12  0.49  1.0
  Lu  Lu7  1  0.0  0.24  0.5  1.0

data_Pr3Lu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.98
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pr3Lu
_chemical_formula_sum   'Pr6 Lu2'
_cell_volume   279.39
_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  0.0  0.15  0.89  1.0
  Pr  Pr1  2  0.0  0.34  0.03  1.0
  Pr  Pr2  2  0.0  0.52  0.89  1.0
  Lu  Lu3  2  0.0  0.66  0.06  1.0

Pr Pr Pr Pr Pr Pr Lu Lu