data_La2BiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   136.27
_cell_angle_beta   136.27
_cell_angle_gamma   63.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BiRu
_chemical_formula_sum   'La2 Bi1 Ru1'
_cell_volume   106.72
_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  0.18  1.0
  La  La2  1  0.0  0.27  0.59  1.0
  Bi  Bi0  1  0.27  0.0  0.59  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_La2BiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.09
_cell_angle_alpha   111.86
_cell_angle_beta   111.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BiRu
_chemical_formula_sum   'La2 Bi1 Ru1'
_cell_volume   106.72
_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  0.68  0.27  0.68  1.0
  La  La1  1  0.82  0.0  0.82  1.0
  Bi  Bi2  1  0.41  0.0  0.68  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

La La Bi Ru
La La Bi Ru 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 