data_InRuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRuCl
_chemical_formula_sum   'In1 Ru1 Cl1'
_cell_volume   54.62
_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  0.18  0.26  0.66  1.0
  Ru  Ru2  1  0.0  0.52  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_InRuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.36
_cell_length_c   4.36
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRuCl
_chemical_formula_sum   'In1 Ru1 Cl1'
_cell_volume   54.62
_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  0.66  0.18  0.26  1.0
  Ru  Ru1  1  -0.0  -0.0  0.52  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

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