data_InRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   127.83
_cell_angle_beta   127.83
_cell_angle_gamma   76.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRu2Cl
_chemical_formula_sum   'In1 Ru2 Cl1'
_cell_volume   70.29
_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
  In  In1  1  0.14  0.0  0.91  1.0
  Ru  Ru2  1  0.0  0.0  0.82  1.0
  Ru  Ru3  1  0.0  0.14  0.91  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_InRu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.88
_cell_angle_alpha   116.08
_cell_angle_beta   116.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRu2Cl
_chemical_formula_sum   'In1 Ru2 Cl1'
_cell_volume   70.29
_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
  In  In0  1  0.91  0.77  0.77  1.0
  Ru  Ru1  1  0.77  0.91  0.77  1.0
  Ru  Ru2  1  0.82  0.82  0.82  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

In Ru Ru Cl
In Ru Ru Cl 0 1 o o o 0 3 o o + 1 2 o o o 1 3 o o + 2 3 o o + 