# generated using pymatgen
data_CsTlCuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79825439
_cell_length_b   7.79825439
_cell_length_c   7.79825439
_cell_angle_alpha   121.83775167
_cell_angle_beta   117.81272108
_cell_angle_gamma   90.33812181
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTlCuF6
_chemical_formula_sum   'Cs2 Tl2 Cu2 F12'
_cell_volume   335.69824065
_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
  Cs  Cs0  1  0.36129000  0.61129000  0.75000000  1.0
  Cs  Cs1  1  0.63871000  0.38871000  0.25000000  1.0
  Tl  Tl2  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl3  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.00000000  1.0
  F  F6  1  0.34597800  0.09597800  0.25000000  1.0
  F  F7  1  0.95402400  0.70402400  0.25000000  1.0
  F  F8  1  0.31197800  0.66157100  0.21824000  1.0
  F  F9  1  0.94333100  0.09373800  0.28176000  1.0
  F  F10  1  0.31197800  0.09373800  0.65040600  1.0
  F  F11  1  0.94333100  0.66157100  0.84959400  1.0
  F  F12  1  0.65402200  0.90402200  0.75000000  1.0
  F  F13  1  0.04597600  0.29597600  0.75000000  1.0
  F  F14  1  0.68802200  0.33842900  0.78176000  1.0
  F  F15  1  0.05666900  0.90626200  0.71824000  1.0
  F  F16  1  0.68802200  0.90626200  0.34959400  1.0
  F  F17  1  0.05666900  0.33842900  0.15040600  1.0