data_[Tm2Tl2Ni2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7456]
_cell_length_b [3.8564]
_cell_length_c [9.1785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmTlNiS3]
_chemical_formula_sum '[Tm2 Tl2 Ni2 S6]'
_cell_volume [293.4914]
_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
[
  Tm  Tm0  2  0.1721  0.2500  0.1433  1
  Tl  Tl1  2  0.2947  0.7500  0.7745  1
  Ni  Ni2  2  0.4212  0.7500  0.4033  1
  S  S3  2  0.0376  0.2500  0.8397  1
  S  S4  2  0.3196  0.2500  0.4602  1
  S  S5  2  0.3867  0.7500  0.1457  1
]