data_LaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.93
_cell_angle_alpha   105.81
_cell_angle_beta   105.81
_cell_angle_gamma   30.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe
_chemical_formula_sum   'La3 Re3'
_cell_volume   138.68
_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  0.12  0.0  0.28  1.0
  La  La1  1  0.61  0.0  0.08  1.0
  La  La2  1  0.29  0.0  0.03  1.0
  Re  Re3  1  0.92  0.0  0.96  1.0
  Re  Re4  1  0.57  0.0  0.73  1.0
  Re  Re5  1  0.69  0.0  0.98  1.0

data_LaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   6.41
_cell_length_c   6.93
_cell_angle_alpha   105.81
_cell_angle_beta   90.0
_cell_angle_gamma   105.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe
_chemical_formula_sum   'La3 Re3'
_cell_volume   138.68
_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  0.39  0.92  1.0
  La  La1  1  0.0  0.71  0.97  1.0
  La  La2  1  0.0  0.88  0.72  1.0
  Re  Re3  1  0.0  0.08  0.04  1.0
  Re  Re4  1  0.0  0.31  0.02  1.0
  Re  Re5  1  0.0  0.43  0.27  1.0

La La La Re Re Re