data_La2ReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.07
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   95.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReRu
_chemical_formula_sum   'La2 Re1 Ru1'
_cell_volume   100.31
_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  0.07  0.03  0.2  1.0
  La  La1  1  0.63  0.0  0.54  1.0
  Re  Re2  1  0.75  0.03  0.49  1.0
  Ru  Ru3  1  0.89  0.0  0.31  1.0

data_La2ReRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.07
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   95.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReRu
_chemical_formula_sum   'La2 Re1 Ru1'
_cell_volume   100.31
_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  0.07  0.03  0.2  1.0
  La  La1  1  0.63  0.0  0.54  1.0
  Re  Re2  1  0.75  0.03  0.49  1.0
  Ru  Ru3  1  0.89  0.0  0.31  1.0

La La Re Ru