data_[Tl2V2Ni2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  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 [8.0140]
_cell_length_b [3.4244]
_cell_length_c [9.2781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlVNiS3]
_chemical_formula_sum '[Tl2 V2 Ni2 S6]'
_cell_volume [233.0810]
_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  0.0095  0.7500  0.7323  1
  V  V1  2  0.4691  0.2500  0.1749  1
  Ni  Ni2  2  0.4773  0.7500  0.3916  1
  S  S3  2  0.2570  0.7500  0.1524  1
  S  S4  2  0.3324  0.7500  0.5665  1
  S  S5  2  0.3491  0.2500  0.8849  1
]