data_[Nb2Rh2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8209]
_cell_length_b [3.3701]
_cell_length_c [8.9489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbRhS3]
_chemical_formula_sum '[Nb2 Rh2 S6]'
_cell_volume [196.8835]
_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
[
  Nb  Nb0  2  0.2729  0.7500  0.5202  1
  Rh  Rh1  2  0.1265  0.7500  0.1771  1
  S  S2  2  0.0912  0.2500  0.6472  1
  S  S3  2  0.1905  0.2500  0.0204  1
  S  S4  2  0.4748  0.7500  0.3284  1
]