data_LaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2
_chemical_formula_sum   'La3 Re6'
_cell_volume   229.64
_cell_formula_units_Z   3
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  0.0  1.0
  La  La1  1  0.0  0.61  0.08  1.0
  La  La2  1  0.99  0.3  0.08  1.0
  Re  Re3  1  0.04  0.67  0.08  1.0
  Re  Re4  1  0.4  0.76  0.0  1.0
  Re  Re5  1  0.92  0.0  0.08  1.0
  Re  Re6  1  0.03  0.25  0.08  1.0
  Re  Re7  1  0.19  0.0  0.0  1.0
  Re  Re8  1  0.39  0.15  0.0  1.0

data_LaRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   7.98
_cell_length_c   7.98
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2
_chemical_formula_sum   'La3 Re6'
_cell_volume   229.64
_cell_formula_units_Z   3
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  0.0  1.0
  La  La1  1  0.08  0.0  0.61  1.0
  La  La2  1  0.08  0.99  0.3  1.0
  Re  Re3  1  0.0  0.19  0.0  1.0
  Re  Re4  1  0.0  0.39  0.15  1.0
  Re  Re5  1  0.0  0.4  0.76  1.0
  Re  Re6  1  0.08  0.03  0.25  1.0
  Re  Re7  1  0.08  0.04  0.67  1.0
  Re  Re8  1  0.08  0.92  0.0  1.0

La La La Re Re Re Re Re Re
La La La Re Re Re Re Re Re 0 5 - o o 0 7 o o o 1 3 o o o 1 4 o o o 2 6 + o o 3 4 o o o 4 8 o + o 4 7 o + o 7 8 o o o 