data_[Ca2Tl2V2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [6.6085]
_cell_length_b [6.6709]
_cell_length_c [8.7050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaTlVS4]
_chemical_formula_sum '[Ca2 Tl2 V2 S8]'
_cell_volume [366.7188]
_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
[
  Ca  Ca0  2  0.2309  0.2500  0.5491  1
  Tl  Tl1  2  0.2635  0.2500  0.0670  1
  V  V2  2  0.2179  0.7500  0.3239  1
  S  S3  4  0.0047  0.0041  0.2779  1
  S  S4  2  0.4057  0.7500  0.5703  1
  S  S5  2  0.4152  0.7500  0.1662  1
]