data_[Tl2Ni2Rh2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  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 [8.0148]
_cell_length_b [3.6049]
_cell_length_c [9.2061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlNiRhS3]
_chemical_formula_sum '[Tl2 Ni2 Rh2 S6]'
_cell_volume [242.0768]
_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
[
  Tl  Tl0  2  0.2414  0.2500  0.2670  1.0
  Ni  Ni1  2  0.0880  0.2500  0.6131  1.0
  Rh  Rh2  2  0.3170  0.7500  0.8450  1.0
  S  S3  2  0.1180  0.2500  0.8599  1.0
  S  S4  2  0.2081  0.7500  0.5518  1.0
  S  S5  2  0.4735  0.7500  0.1280  1.0
]