# generated using pymatgen
data_LiTa2CuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57873253
_cell_length_b   5.57873253
_cell_length_c   5.57873196
_cell_angle_alpha   56.09248261
_cell_angle_beta   56.09248261
_cell_angle_gamma   56.09248732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2CuO6
_chemical_formula_sum   'Li1 Ta2 Cu1 O6'
_cell_volume   111.66065038
_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
  Li  Li0  1  0.50000000  0.50000000  0.50000000  1
  Ta  Ta1  1  0.24857700  0.24857700  0.24857700  1
  Ta  Ta2  1  0.75142300  0.75142300  0.75142300  1
  Cu  Cu3  1  0.00000000  0.00000000  0.00000000  1
  O  O4  1  0.38712200  0.61287800  0.00000000  1
  O  O5  1  0.61287800  0.00000000  0.38712200  1
  O  O6  1  0.00000000  0.38712200  0.61287800  1
  O  O7  1  0.50000000  0.11948700  0.88051300  1
  O  O8  1  0.88051300  0.50000000  0.11948700  1
  O  O9  1  0.11948700  0.88051300  0.50000000  1
