data_La2ReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   146.62
_cell_angle_beta   136.47
_cell_angle_gamma   55.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReRu
_chemical_formula_sum   'La2 Re1 Ru1'
_cell_volume   100.5
_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  0.39  0.48  1.0
  La  La1  1  0.0  0.0  0.07  1.0
  Re  Re2  1  0.0  0.39  0.64  1.0
  Ru  Ru3  1  0.0  0.0  0.86  1.0

data_La2ReRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.78
_cell_length_c   6.44
_cell_angle_alpha   111.77
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReRu
_chemical_formula_sum   'La2 Re1 Ru1'
_cell_volume   100.5
_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  0.07  0.07  1.0
  La  La1  1  0.61  0.09  0.09  1.0
  Re  Re2  1  0.61  0.26  0.26  1.0
  Ru  Ru3  1  0.0  0.86  0.86  1.0

La La Re Ru
La La Re Ru 0 2 o o o 0 1 o o o 1 3 o o - 