# generated using pymatgen
data_Tl5(Cu7Se5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41849459
_cell_length_b   9.41849459
_cell_length_c   18.45442460
_cell_angle_alpha   62.60023347
_cell_angle_beta   62.60023347
_cell_angle_gamma   24.08580568
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5(Cu7Se5)2
_chemical_formula_sum   'Tl5 Cu14 Se10'
_cell_volume   589.50358875
_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  0.22273200  0.22273200  0.82137300  1.0
  Tl  Tl1  1  0.77726800  0.77726800  0.17862700  1.0
  Tl  Tl2  1  0.88694000  0.88694000  0.59884100  1.0
  Tl  Tl3  1  0.11306000  0.11306000  0.40115900  1.0
  Tl  Tl4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.02421400  0.02421400  0.78388700  1.0
  Cu  Cu6  1  0.09005300  0.09005300  0.61959100  1.0
  Cu  Cu7  1  0.90994700  0.90994700  0.38040900  1.0
  Cu  Cu8  1  0.63580800  0.63580800  0.68573600  1.0
  Cu  Cu9  1  0.36419200  0.36419200  0.31426400  1.0
  Cu  Cu10  1  0.58069800  0.58069800  0.12786800  1.0
  Cu  Cu11  1  0.41930200  0.41930200  0.87213200  1.0
  Cu  Cu12  1  0.69572100  0.69572100  0.53045600  1.0
  Cu  Cu13  1  0.30427900  0.30427900  0.46954400  1.0
  Cu  Cu14  1  0.80921000  0.80921000  0.95201400  1.0
  Cu  Cu15  1  0.19079000  0.19079000  0.04798600  1.0
  Cu  Cu16  1  0.52354200  0.52354200  0.28227300  1.0
  Cu  Cu17  1  0.47645800  0.47645800  0.71772700  1.0
  Cu  Cu18  1  0.97578600  0.97578600  0.21611300  1.0
  Se  Se19  1  0.45548800  0.45548800  0.42949900  1.0
  Se  Se20  1  0.22730400  0.22730400  0.61698300  1.0
  Se  Se21  1  0.42974900  0.42974900  0.16792700  1.0
  Se  Se22  1  0.57025100  0.57025100  0.83207300  1.0
  Se  Se23  1  0.54451200  0.54451200  0.57050100  1.0
  Se  Se24  1  0.88453600  0.88453600  0.79367400  1.0
  Se  Se25  1  0.11546400  0.11546400  0.20632600  1.0
  Se  Se26  1  0.66314900  0.66314900  0.98109600  1.0
  Se  Se27  1  0.33685100  0.33685100  0.01890400  1.0
  Se  Se28  1  0.77269600  0.77269600  0.38301700  1.0