data_[Ca1Tl1Sb1F6]
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
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [6.2667]
_cell_length_b [6.2667]
_cell_length_c [5.2259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [CaTlSbF6]
_chemical_formula_sum '[Ca1 Tl1 Sb1 F6]'
_cell_volume [177.7341]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.4745  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0097  1.0
  Sb  Sb2  1  0.6667  0.3333  0.5490  1.0
  F  F3  3  0.0318  0.3493  0.6905  1.0
  F  F4  3  0.4383  0.3815  0.2967  1.0
]