data_[Tl6Ga2F12]
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 [P2_1/c]
_cell_length_a [6.1395]
_cell_length_b [6.7940]
_cell_length_c [11.0118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl3GaF6]
_chemical_formula_sum '[Tl6 Ga2 F12]'
_cell_volume [381.6481]
_cell_formula_units_Z [2]
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  0.2502  0.5368  0.2606  1
  Tl  Tl1  2  0.5000  0.0000  0.5000  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  F  F3  4  0.1044  0.7291  0.4401  1
  F  F4  4  0.2510  0.1548  0.9853  1
  F  F5  4  0.2700  0.5575  0.7028  1
]