data_LaRuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.26
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   98.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRuCl2
_chemical_formula_sum   'La1 Ru1 Cl2'
_cell_volume   86.3
_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  La2  1  0.83  0.0  0.35  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.4  0.13  0.67  1.0
  Cl  Cl1  1  0.25  0.13  0.02  1.0

data_LaRuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.32
_cell_length_c   4.74
_cell_angle_alpha   98.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRuCl2
_chemical_formula_sum   'La1 Ru1 Cl2'
_cell_volume   86.3
_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  0.17  0.65  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.87  0.6  0.33  1.0
  Cl  Cl3  1  0.87  0.75  0.98  1.0

La Ru Cl Cl