data_PrRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrRe3
_chemical_formula_sum   'Pr2 Re6'
_cell_volume   159.58
_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  0.0  0.77  0.08  1.0
  Pr  Pr1  1  0.26  0.88  0.25  1.0
  Re  Re2  1  0.97  0.9  0.25  1.0
  Re  Re3  1  0.0  0.49  0.25  1.0
  Re  Re4  1  0.29  0.74  0.08  1.0
  Re  Re5  1  0.26  0.16  0.08  1.0
  Re  Re6  1  0.03  0.9  0.25  1.0
  Re  Re7  1  0.23  0.74  0.08  1.0

data_PrRe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.33
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PrRe3
_chemical_formula_sum   'Pr2 Re6'
_cell_volume   159.58
_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  0.13  0.56  1.0
  Re  Re1  2  0.08  0.84  0.58  1.0
  Re  Re2  2  0.08  0.87  0.17  1.0
  Re  Re3  2  0.08  0.9  0.58  1.0

Pr Pr Re Re Re Re Re Re