data_[H2Rh2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.2991]
_cell_length_b [3.6345]
_cell_length_c [6.1105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HRhS2]
_chemical_formula_sum '[H2 Rh2 S4]'
_cell_volume [133.2171]
_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
[
  H  H0  2  0.4110  0.0000  0.3694  1.0
  Rh  Rh1  2  0.2002  0.0000  0.7873  1.0
  S  S2  2  0.4294  0.5000  0.9976  1.0
  S  S3  2  0.4795  0.0000  0.6049  1.0
]