data_[In20Ru2S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [10.8208]
_cell_length_b [11.8695]
_cell_length_c [7.9245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [In10RuS10]
_chemical_formula_sum '[In20 Ru2 S20]'
_cell_volume [1017.8124]
_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
[
  In  In0  8  0.0810  0.3761  0.2631  1
  In  In1  4  0.0000  0.0000  0.2075  1
  In  In2  4  0.1431  0.6857  0.0000  1
  In  In3  4  0.2344  0.6344  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.0000  1
  S  S5  8  0.1683  0.1693  0.2193  1
  S  S6  4  0.0359  0.7344  0.5000  1
  S  S7  4  0.1622  0.9002  0.0000  1
  S  S8  4  0.2374  0.4298  0.5000  1
]