data_Ba2LaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64
_cell_length_b   9.64
_cell_length_c   9.64
_cell_angle_alpha   158.03
_cell_angle_beta   151.87
_cell_angle_gamma   35.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaRu
_chemical_formula_sum   'Ba2 La1 Ru1'
_cell_volume   157.94
_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
  Ba  Ba0  1  0.0  0.34  0.35  1.0
  Ba  Ba1  1  0.84  0.0  0.82  1.0
  La  La2  1  0.0  0.0  0.17  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Ba2LaRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.69
_cell_length_c   9.64
_cell_angle_alpha   104.06
_cell_angle_beta   100.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaRu
_chemical_formula_sum   'Ba2 La1 Ru1'
_cell_volume   157.94
_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
  Ba  Ba0  1  0.0  0.82  0.98  1.0
  Ba  Ba1  1  0.66  0.01  0.01  1.0
  La  La2  1  0.0  0.17  0.17  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ba Ba La Ru