# generated using pymatgen
data_Ta2CuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69938430
_cell_length_b   5.38531953
_cell_length_c   5.38871089
_cell_angle_alpha   58.46884827
_cell_angle_beta   58.05778479
_cell_angle_gamma   58.09598535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuO6
_chemical_formula_sum   'Ta2 Cu1 O6'
_cell_volume   112.14539854
_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  0.00231600  0.00195600  0.99306400  1.0
  Ta  Ta1  1  0.49747600  0.50701900  0.49806500  1.0
  Cu  Cu2  1  0.75049200  0.83830500  0.66184800  1.0
  O  O3  1  0.16253700  0.77386300  0.34922000  1.0
  O  O4  1  0.33830500  0.15011000  0.72617100  1.0
  O  O5  1  0.75025300  0.39964900  0.10043700  1.0
  O  O6  1  0.24956100  0.64728700  0.85271700  1.0
  O  O7  1  0.70899300  0.78013500  0.34819200  1.0
  O  O8  1  0.79086800  0.15247500  0.72028800  1.0