data_[Ca4Tl4In4F24]
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
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.9519]
_cell_length_b [8.1011]
_cell_length_c [11.6376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CaTlInF6]
_chemical_formula_sum '[Ca4 Tl4 In4 F24]'
_cell_volume [749.6861]
_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  0.2500  0.2500  0.2500  1.0
  Tl  Tl1  4  0.0000  0.2500  0.9456  1.0
  In  In2  4  0.0000  0.0000  0.5000  1.0
  F  F3  16  0.1909  0.0534  0.3827  1.0
  F  F4  4  0.0000  0.2500  0.1595  1.0
  F  F5  4  0.0000  0.2500  0.5582  1.0
]