data_[Na2Tl4V2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Pmn2_1]
_cell_length_a [8.4445]
_cell_length_b [9.0796]
_cell_length_c [6.1959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaTl2VS4]
_chemical_formula_sum '[Na2 Tl4 V2 S8]'
_cell_volume [475.0533]
_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
[
  Na  Na0  2  0.0000  0.1148  0.5589  1
  Tl  Tl1  4  0.2135  0.3401  0.0839  1
  V  V2  2  0.0000  0.8272  0.9666  1
  S  S3  4  0.2149  0.7105  0.0604  1
  S  S4  2  0.0000  0.0535  0.0714  1
  S  S5  2  0.0000  0.8179  0.6146  1
]