data_[Ca4Tl4V4F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7601]
_cell_length_b [7.8314]
_cell_length_c [10.9910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CaTlVF6]
_chemical_formula_sum '[Ca4 Tl4 V4 F24]'
_cell_volume [667.9437]
_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  0.0000  0.5000  1.0
  Tl  Tl1  4  0.0000  0.2500  0.1552  1.0
  V  V2  4  0.2500  0.2500  0.7500  1.0
  F  F3  16  0.2188  0.0708  0.6272  1.0
  F  F4  4  0.0000  0.2500  0.3935  1.0
  F  F5  4  0.0000  0.2500  0.7868  1.0
]