data_[Tl2V2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7332]
_cell_length_b [3.2381]
_cell_length_c [8.5958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlVS2]
_chemical_formula_sum '[Tl2 V2 S4]'
_cell_volume [178.0188]
_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  0.1814  0.2500  0.3213  1
  V  V1  2  0.3961  0.2500  0.8719  1
  S  S2  2  0.2486  0.7500  0.0033  1
  S  S3  2  0.3405  0.7500  0.6631  1
]