# generated using pymatgen
data_Tl3FeCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36429997
_cell_length_b   9.36429997
_cell_length_c   9.36376643
_cell_angle_alpha   126.67890379
_cell_angle_beta   126.67890379
_cell_angle_gamma   78.78122186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3FeCl5
_chemical_formula_sum   'Tl6 Fe2 Cl10'
_cell_volume   511.05638016
_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  1  0.25000031  0.24999969  0.00000000  1.0
  Tl  Tl1  1  0.74999969  0.75000031  0.00000000  1.0
  Tl  Tl2  1  0.34100840  0.84100840  0.18201563  1.0
  Tl  Tl3  1  0.84103360  0.65896640  0.50000000  1.0
  Tl  Tl4  1  0.15896640  0.34103360  0.50000000  1.0
  Tl  Tl5  1  0.65899160  0.15899160  0.81798437  1.0
  Fe  Fe6  1  0.74996745  0.24996745  0.50001391  1.0
  Fe  Fe7  1  0.25003255  0.75003255  0.49998609  1.0
  Cl  Cl8  1  0.00000000  -0.00000000  0.00000000  1.0
  Cl  Cl9  1  0.50000000  0.50000000  0.00000000  1.0
  Cl  Cl10  1  0.00133189  0.50133189  0.19132873  1.0
  Cl  Cl11  1  0.68998540  0.18998540  0.19130041  1.0
  Cl  Cl12  1  -0.00133189  0.49866811  0.80867127  1.0
  Cl  Cl13  1  0.49870326  0.68996028  0.50001213  1.0
  Cl  Cl14  1  0.18996028  -0.00129674  0.50001213  1.0
  Cl  Cl15  1  0.50129674  0.31003972  0.49998787  1.0
  Cl  Cl16  1  0.31001460  0.81001460  0.80869959  1.0
  Cl  Cl17  1  0.81003972  0.00129674  0.49998787  1.0