data_[Tl1Cu2Si1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9189]
_cell_length_b [5.0315]
_cell_length_c [7.6310]
_cell_angle_alpha [73.3390]
_cell_angle_beta [79.2380]
_cell_angle_gamma [70.2391]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCu2SiF8]
_chemical_formula_sum '[Tl1 Cu2 Si1 F8]'
_cell_volume [169.4320]
_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  0.5000  1
  Cu  Cu1  2  0.3932  0.4640  0.7125  1
  Si  Si2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.0882  0.3095  0.8741  1
  F  F4  2  0.2507  0.9286  0.1485  1
  F  F5  2  0.2618  0.7975  0.8660  1
  F  F6  2  0.3550  0.3504  0.4771  1
]