data_[In4Pd16S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6125]
_cell_length_b [5.7204]
_cell_length_c [13.6825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [In2Pd8S]
_chemical_formula_sum '[In4 Pd16 S2]'
_cell_volume [361.0226]
_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  4  0.0000  0.5000  0.1849  1
  Pd  Pd1  8  0.0000  0.2440  0.6303  1
  Pd  Pd2  4  0.0000  0.0000  0.1905  1
  Pd  Pd3  4  0.0000  0.2464  0.0000  1
  S  S4  2  0.0000  0.5000  0.5000  1
]