data_LaRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   5.5
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRu2Cl
_chemical_formula_sum   'La1 Ru2 Cl1'
_cell_volume   81.54
_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  0.66  0.0  0.2  1.0
  Ru  Ru2  1  0.79  0.75  0.29  1.0
  Ru  Ru3  1  0.53  0.75  0.12  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_LaRu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.41
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRu2Cl
_chemical_formula_sum   'La1 Ru2 Cl1'
_cell_volume   81.54
_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  0.34  0.8  0.0  1.0
  Ru  Ru1  1  0.21  0.71  0.25  1.0
  Ru  Ru2  1  0.47  0.88  0.25  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

La Ru Ru Cl