# generated using pymatgen
data_CsTlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90727500
_cell_length_b   5.52572100
_cell_length_c   9.57082900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTlF3
_chemical_formula_sum   'Cs2 Tl2 F6'
_cell_volume   206.63909378
_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  0.00000000  0.05393200  0.00000000  1.0
  Cs  Cs1  1  0.00000000  0.55393200  0.50000000  1.0
  Tl  Tl2  1  0.50000000  0.54721100  0.00000000  1.0
  Tl  Tl3  1  0.50000000  0.04721100  0.50000000  1.0
  F  F4  1  0.50000000  0.29484100  0.75166300  1.0
  F  F5  1  0.50000000  0.29484100  0.24833700  1.0
  F  F6  1  0.00000000  0.54317900  0.00000000  1.0
  F  F7  1  0.50000000  0.79484100  0.25166300  1.0
  F  F8  1  0.50000000  0.79484100  0.74833700  1.0
  F  F9  1  0.00000000  0.04317900  0.50000000  1.0