data_LaPr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49
_cell_length_b   7.49
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPr3
_chemical_formula_sum   'La2 Pr6'
_cell_volume   295.03
_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
  La  La0  1  0.74  0.16  0.56  1.0
  La  La1  1  0.0  0.32  0.52  1.0
  Pr  Pr2  1  0.62  0.08  0.52  1.0
  Pr  Pr3  1  0.86  0.08  0.52  1.0
  Pr  Pr4  1  0.74  0.33  0.52  1.0
  Pr  Pr5  1  0.12  0.41  0.56  1.0
  Pr  Pr6  1  0.88  0.41  0.56  1.0
  Pr  Pr7  1  0.0  0.15  0.56  1.0

data_LaPr3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.08
_cell_length_b   7.49
_cell_length_c   7.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaPr3
_chemical_formula_sum   'La2 Pr6'
_cell_volume   295.03
_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
  La  La0  2  0.48  0.63  0.08  1.0
  Pr  Pr1  2  0.48  0.25  0.83  1.0
  Pr  Pr2  2  0.48  0.37  0.09  1.0
  Pr  Pr3  2  0.48  0.49  0.83  1.0

La La Pr Pr Pr Pr Pr Pr