data_La5Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   8.54
_cell_angle_alpha   109.17
_cell_angle_beta   109.17
_cell_angle_gamma   31.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Re
_chemical_formula_sum   'La5 Re1'
_cell_volume   193.82
_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  0.42  0.0  0.31  1.0
  La  La1  1  0.53  0.0  0.26  1.0
  La  La2  1  0.67  0.0  0.18  1.0
  La  La3  1  0.62  0.0  0.48  1.0
  La  La4  1  0.39  0.0  0.96  1.0
  Re  Re5  1  0.05  0.0  0.23  1.0

data_La5Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   6.77
_cell_length_c   8.54
_cell_angle_alpha   109.17
_cell_angle_beta   90.0
_cell_angle_gamma   105.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Re
_chemical_formula_sum   'La5 Re1'
_cell_volume   193.82
_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  0.33  0.82  1.0
  La  La1  1  0.0  0.38  0.52  1.0
  La  La2  1  0.0  0.47  0.74  1.0
  La  La3  1  0.0  0.58  0.69  1.0
  La  La4  1  0.0  0.61  0.04  1.0
  Re  Re5  1  0.0  0.95  0.77  1.0

La La La La La Re