data_LaRe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   8.98
_cell_length_c   8.98
_cell_angle_alpha   18.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe5
_chemical_formula_sum   'La1 Re5'
_cell_volume   108.51
_cell_formula_units_Z   1
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  0.0  0.0  0.59  1.0
  Re  Re1  1  0.17  0.0  0.05  1.0
  Re  Re2  1  0.0  0.0  0.57  1.0
  Re  Re3  1  0.17  0.0  0.55  1.0
  Re  Re4  1  0.0  0.0  0.04  1.0
  Re  Re5  1  0.17  0.0  0.25  1.0

data_LaRe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.34
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   99.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe5
_chemical_formula_sum   'La1 Re5'
_cell_volume   108.51
_cell_formula_units_Z   1
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  0.41  0.0  0.41  1.0
  Re  Re1  1  0.43  0.0  0.43  1.0
  Re  Re2  1  0.45  0.17  0.45  1.0
  Re  Re3  1  0.75  0.17  0.75  1.0
  Re  Re4  1  0.95  0.17  0.95  1.0
  Re  Re5  1  0.96  0.0  0.96  1.0

La Re Re Re Re Re