# generated using pymatgen
data_TlCu2(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83758156
_cell_length_b   5.83758156
_cell_length_c   8.86256520
_cell_angle_alpha   65.02819117
_cell_angle_beta   65.02819117
_cell_angle_gamma   65.11011798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu2(SeO5)2
_chemical_formula_sum   'Tl1 Cu2 Se2 O10'
_cell_volume   237.11942818
_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  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu1  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.06258000  0.06258000  0.73140400  1.0
  Se  Se4  1  0.93742000  0.93742000  0.26859600  1.0
  O  O5  1  0.17032400  0.17032400  0.82757300  1.0
  O  O6  1  0.82967600  0.82967600  0.17242700  1.0
  O  O7  1  0.16802100  0.16802100  0.51785800  1.0
  O  O8  1  0.83197900  0.83197900  0.48214200  1.0
  O  O9  1  0.72032900  0.17045900  0.78974400  1.0
  O  O10  1  0.17045900  0.72032900  0.78974400  1.0
  O  O11  1  0.27967100  0.82954100  0.21025600  1.0
  O  O12  1  0.82954100  0.27967100  0.21025600  1.0
  O  O13  1  0.68630400  0.68630400  0.95660400  1.0
  O  O14  1  0.31369600  0.31369600  0.04339600  1.0