# generated using pymatgen
data_Ta2Cu(ReSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46478900
_cell_length_b   3.46478900
_cell_length_c   26.69908900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998084
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Cu(ReSe4)2
_chemical_formula_sum   'Ta2 Cu1 Re2 Se8'
_cell_volume   277.57525124
_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
  Ta  Ta0  1  0.33333300  0.66666700  0.37600000  1.0
  Ta  Ta1  1  0.33333300  0.66666700  0.87500300  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.25275400  1.0
  Re  Re3  1  0.33333300  0.66666700  0.12068400  1.0
  Re  Re4  1  0.33333300  0.66666700  0.62503100  1.0
  Se  Se5  1  0.00000000  0.00000000  0.31208800  1.0
  Se  Se6  1  0.00000000  0.00000000  0.81210600  1.0
  Se  Se7  1  0.66666700  0.33333300  0.18629400  1.0
  Se  Se8  1  0.66666700  0.33333300  0.68370500  1.0
  Se  Se9  1  0.66666700  0.33333300  0.06382800  1.0
  Se  Se10  1  0.66666700  0.33333300  0.56633300  1.0
  Se  Se11  1  0.00000000  0.00000000  0.43838400  1.0
  Se  Se12  1  0.00000000  0.00000000  0.93779000  1.0