# generated using pymatgen
data_Ta2CuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79461100
_cell_length_b   4.79461100
_cell_length_c   9.16489700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuO6
_chemical_formula_sum   'Ta4 Cu2 O12'
_cell_volume   210.68535259
_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
  Ta  Ta0  1  0.00000000  0.00000000  0.66847700  1.0
  Ta  Ta1  1  0.50000000  0.50000000  0.16847700  1.0
  Ta  Ta2  1  0.50000000  0.50000000  0.83152300  1.0
  Ta  Ta3  1  0.00000000  0.00000000  0.33152300  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.50000000  1.0
  O  O6  1  0.20397900  0.79602100  0.82411800  1.0
  O  O7  1  0.70397900  0.70397900  0.32411800  1.0
  O  O8  1  0.81245700  0.18754300  0.50000000  1.0
  O  O9  1  0.29602100  0.29602100  0.67588200  1.0
  O  O10  1  0.79602100  0.20397900  0.82411800  1.0
  O  O11  1  0.18754300  0.81245700  0.50000000  1.0
  O  O12  1  0.31245700  0.31245700  0.00000000  1.0
  O  O13  1  0.68754300  0.68754300  0.00000000  1.0
  O  O14  1  0.29602100  0.29602100  0.32411800  1.0
  O  O15  1  0.20397900  0.79602100  0.17588200  1.0
  O  O16  1  0.70397900  0.70397900  0.67588200  1.0
  O  O17  1  0.79602100  0.20397900  0.17588200  1.0