data_La2InRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   149.75
_cell_angle_beta   135.91
_cell_angle_gamma   54.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InRu
_chemical_formula_sum   'La2 In1 Ru1'
_cell_volume   107.3
_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  La1  1  0.0  0.0  1.0  1.0
  La  La2  1  0.76  0.0  0.66  1.0
  In  In0  1  0.0  0.53  0.29  1.0
  Ru  Ru3  1  0.0  0.0  0.09  1.0

data_La2InRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.07
_cell_length_c   6.75
_cell_angle_alpha   112.05
_cell_angle_beta   105.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InRu
_chemical_formula_sum   'La2 In1 Ru1'
_cell_volume   107.3
_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  0.66  0.89  1.0
  La  La1  1  0.0  1.0  1.0  1.0
  In  In2  1  0.47  0.75  0.75  1.0
  Ru  Ru3  1  0.0  0.09  0.09  1.0

La La In Ru
La La In Ru 0 3 o o + 0 1 - o o 0 2 o o + 1 2 + o + 1 2 + - o 