data_[Tl1Ga1Si1F6]
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
  Si  1.9000  1.1000  0.5400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.7415]
_cell_length_b [5.7415]
_cell_length_c [5.2101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TlGaSiF6]
_chemical_formula_sum '[Tl1 Ga1 Si1 F6]'
_cell_volume [148.7401]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.9180  1.0
  Ga  Ga1  1  0.6667  0.3333  0.3915  1.0
  Si  Si2  1  0.3333  0.6667  0.5246  1.0
  F  F3  3  0.0478  0.5239  0.7180  1.0
  F  F4  3  0.1885  0.3770  0.3437  1.0
]