data_[Tl1Cu2Sn1F8]
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
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0616]
_cell_length_b [5.3856]
_cell_length_c [7.8617]
_cell_angle_alpha [74.0193]
_cell_angle_beta [77.4319]
_cell_angle_gamma [77.9119]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCu2SnF8]
_chemical_formula_sum '[Tl1 Cu2 Sn1 F8]'
_cell_volume [198.5215]
_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  1.0
  Cu  Cu1  2  0.4195  0.4816  0.7078  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1735  0.7677  0.2068  1.0
  F  F4  2  0.2459  0.7973  0.8273  1.0
  F  F5  2  0.2703  0.2515  0.9424  1.0
  F  F6  2  0.4125  0.2926  0.5147  1.0
]