data_[Ca4Tl4V8O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9310]
_cell_length_b [10.2519]
_cell_length_c [5.9992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaTlV2O6]
_chemical_formula_sum '[Ca4 Tl4 V8 O24]'
_cell_volume [650.4291]
_cell_formula_units_Z [4]
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  4  0.0000  0.3984  0.2500  1.0
  Tl  Tl1  4  0.0000  0.1872  0.7500  1.0
  V  V2  8  0.2190  0.0875  0.2858  1.0
  O  O3  8  0.1159  0.4186  0.6385  1.0
  O  O4  8  0.1484  0.2379  0.2232  1.0
  O  O5  8  0.1644  0.0105  0.5219  1.0
]