data_[Te4Rh4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4975]
_cell_length_b [6.0845]
_cell_length_c [6.4305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TeRhS]
_chemical_formula_sum '[Te4 Rh4 S4]'
_cell_volume [244.6332]
_cell_formula_units_Z [4]
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
[
  Te  Te0  4  0.1476  0.6227  0.3475  1.0
  Rh  Rh1  4  0.2694  0.0163  0.2552  1.0
  S  S2  4  0.3658  0.1273  0.6356  1.0
]