data_[Tl2Cu2F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6422]
_cell_length_b [4.0700]
_cell_length_c [6.6767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCuF2]
_chemical_formula_sum '[Tl2 Cu2 F4]'
_cell_volume [164.8454]
_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  2  0.3368  0.7500  0.1929  1
  Cu  Cu1  2  0.1040  0.7500  0.6462  1
  F  F2  2  0.0926  0.2500  0.2246  1
  F  F3  2  0.3510  0.7500  0.5870  1
]