# generated using pymatgen
data_Tl2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16758004
_cell_length_b   4.16734275
_cell_length_c   7.32886000
_cell_angle_alpha   106.49397370
_cell_angle_beta   106.51859780
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CuF4
_chemical_formula_sum   'Tl2 Cu1 F4'
_cell_volume   116.55860173
_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  0.35542284  0.35511520  0.71084769  1.0
  Tl  Tl1  1  0.64457716  0.64488480  0.28915231  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  F  F3  1  0.14113094  0.14090053  0.28226089  1.0
  F  F4  1  0.85886906  0.85909947  0.71773911  1.0
  F  F5  1  0.00000000  0.50000000  0.00000000  1.0
  F  F6  1  0.50000000  0.00000000  0.00000000  1.0