data_[Tl4Ga4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9086]
_cell_length_b [5.3033]
_cell_length_c [5.3842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlGaF4]
_chemical_formula_sum '[Tl4 Ga4 F16]'
_cell_volume [369.3310]
_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
[
  Tl  Tl0  4  0.0000  0.2644  0.2500  1.0
  Ga  Ga1  4  0.2500  0.2500  0.0000  1.0
  F  F2  8  0.1104  0.1654  0.8866  1.0
  F  F3  8  0.2183  0.4472  0.6699  1.0
]