data_La2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   102.35
_cell_angle_beta   102.35
_cell_angle_gamma   124.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Re
_chemical_formula_sum   'La4 Re2'
_cell_volume   164.97
_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  0.48  0.34  0.0  1.0
  La  La1  1  0.48  0.66  0.82  1.0
  La  La2  1  0.34  0.16  0.0  1.0
  La  La3  1  0.34  0.48  0.82  1.0
  Re  Re4  1  0.0  0.0  0.41  1.0
  Re  Re5  1  0.0  0.0  0.23  1.0

data_La2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.64
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   77.65
_cell_angle_beta   62.45
_cell_angle_gamma   62.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Re
_chemical_formula_sum   'La4 Re2'
_cell_volume   164.97
_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  0.16  -0.0  0.18  1.0
  La  La1  1  0.34  -0.0  0.14  1.0
  La  La2  1  0.66  0.82  0.86  1.0
  La  La3  1  0.84  0.82  0.82  1.0
  Re  Re4  1  0.59  0.41  0.0  1.0
  Re  Re5  1  0.77  0.23  0.0  1.0

La La La La Re Re
La La La La Re Re 0 2 o o o 1 3 o o o 4 5 o o o 