# generated using pymatgen
data_TlCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88725583
_cell_length_b   5.88738079
_cell_length_c   7.24469649
_cell_angle_alpha   113.98438582
_cell_angle_beta   113.97147215
_cell_angle_gamma   89.99218982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCuSe2
_chemical_formula_sum   'Tl2 Cu2 Se4'
_cell_volume   205.49957170
_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  0.49999571  0.50000534  0.00003257  1.0
  Tl  Tl1  1  0.75000506  0.24994798  0.50003330  1.0
  Cu  Cu2  1  -0.00013789  0.00018037  -0.00015718  1.0
  Cu  Cu3  1  0.25004591  0.74993431  0.49985066  1.0
  Se  Se4  1  0.32851011  0.37499193  0.25002715  1.0
  Se  Se5  1  0.92143291  0.87490458  0.24983680  1.0
  Se  Se6  1  0.12498414  0.67143893  0.75006820  1.0
  Se  Se7  1  0.62516305  0.07859656  0.75030851  1.0