# generated using pymatgen
data_TlCu4Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94481600
_cell_length_b   12.54316700
_cell_length_c   12.92743300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu4Se3
_chemical_formula_sum   'Tl4 Cu16 Se12'
_cell_volume   639.65566592
_cell_formula_units_Z   4
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  0.00000000  0.39454900  0.37211100  1.0
  Tl  Tl1  1  0.00000000  0.60545100  0.62788900  1.0
  Tl  Tl2  1  0.50000000  0.10545100  0.87211100  1.0
  Tl  Tl3  1  0.50000000  0.89454900  0.12788900  1.0
  Cu  Cu4  1  0.00000000  0.09659400  0.46000600  1.0
  Cu  Cu5  1  0.00000000  0.90340600  0.53999400  1.0
  Cu  Cu6  1  0.50000000  0.40340600  0.96000600  1.0
  Cu  Cu7  1  0.50000000  0.59659400  0.03999400  1.0
  Cu  Cu8  1  0.00000000  0.08578500  0.26950500  1.0
  Cu  Cu9  1  0.00000000  0.91421500  0.73049500  1.0
  Cu  Cu10  1  0.50000000  0.41421500  0.76950500  1.0
  Cu  Cu11  1  0.50000000  0.58578500  0.23049500  1.0
  Cu  Cu12  1  0.00000000  0.31548200  0.07944300  1.0
  Cu  Cu13  1  0.00000000  0.68451800  0.92055700  1.0
  Cu  Cu14  1  0.50000000  0.18451800  0.57944300  1.0
  Cu  Cu15  1  0.50000000  0.81548200  0.42055700  1.0
  Cu  Cu16  1  0.00000000  0.30496200  0.67388900  1.0
  Cu  Cu17  1  0.00000000  0.69503800  0.32611100  1.0
  Cu  Cu18  1  0.50000000  0.19503800  0.17388900  1.0
  Cu  Cu19  1  0.50000000  0.80496200  0.82611100  1.0
  Se  Se20  1  0.00000000  0.11989300  0.08929400  1.0
  Se  Se21  1  0.00000000  0.88010700  0.91070600  1.0
  Se  Se22  1  0.50000000  0.38010700  0.58929400  1.0
  Se  Se23  1  0.50000000  0.61989300  0.41070600  1.0
  Se  Se24  1  0.00000000  0.67907200  0.13214500  1.0
  Se  Se25  1  0.00000000  0.32092800  0.86785500  1.0
  Se  Se26  1  0.50000000  0.82092800  0.63214500  1.0
  Se  Se27  1  0.50000000  0.17907200  0.36785500  1.0
  Se  Se28  1  0.00000000  0.09273200  0.64372900  1.0
  Se  Se29  1  0.00000000  0.90726800  0.35627100  1.0
  Se  Se30  1  0.50000000  0.40726800  0.14372900  1.0
  Se  Se31  1  0.50000000  0.59273200  0.85627100  1.0