data_LaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   6.95
_cell_angle_alpha   103.7
_cell_angle_beta   103.7
_cell_angle_gamma   30.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRu2
_chemical_formula_sum   'La2 Ru4'
_cell_volume   115.16
_cell_formula_units_Z   2
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  0.84  0.0  0.24  1.0
  La  La1  1  0.69  0.0  0.49  1.0
  Ru  Ru2  1  0.58  0.0  0.59  1.0
  Ru  Ru3  1  0.62  0.0  0.75  1.0
  Ru  Ru4  1  0.91  0.0  0.99  1.0
  Ru  Ru5  1  0.96  0.0  0.14  1.0

data_LaRu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.04
_cell_length_b   5.82
_cell_length_c   6.95
_cell_angle_alpha   103.7
_cell_angle_beta   90.0
_cell_angle_gamma   105.15
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaRu2
_chemical_formula_sum   'La2 Ru4'
_cell_volume   115.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.08  0.38  1.0
  Ru  Ru1  2  0.0  0.15  0.12  1.0
  Ru  Ru2  2  0.0  0.19  0.28  1.0

La La Ru Ru Ru Ru