data_La3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Ru
_chemical_formula_sum   'La3 Ru1'
_cell_volume   131.25
_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  0.96  0.13  0.75  1.0
  La  La1  1  0.96  0.13  0.12  1.0
  La  La2  1  0.0  0.0  0.93  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_La3Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Ru
_chemical_formula_sum   'La3 Ru1'
_cell_volume   131.25
_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  0.0  0.93  1.0
  La  La1  1  0.96  0.13  0.12  1.0
  La  La2  1  0.96  0.13  0.75  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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