# generated using pymatgen
data_Ca2TaCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69375700
_cell_length_b   5.47685800
_cell_length_c   5.70409008
_cell_angle_alpha   85.50252648
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TaCuO6
_chemical_formula_sum   'Ca4 Ta2 Cu2 O12'
_cell_volume   239.61664086
_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
  Ca  Ca0  1  0.75000000  0.97812000  0.04672800  1.0
  Ca  Ca1  1  0.75000000  0.50495000  0.57124600  1.0
  Ca  Ca2  1  0.25000000  0.49505000  0.42875400  1.0
  Ca  Ca3  1  0.25000000  0.02188000  0.95327200  1.0
  Ta  Ta4  1  0.00000000  0.00000000  0.50000000  1.0
  Ta  Ta5  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu6  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu7  1  0.50000000  0.50000000  0.00000000  1.0
  O  O8  1  0.45288700  0.20399600  0.20065100  1.0
  O  O9  1  0.54711900  0.71943100  0.31438300  1.0
  O  O10  1  0.54711300  0.79600400  0.79934900  1.0
  O  O11  1  0.04711900  0.28056900  0.68561700  1.0
  O  O12  1  0.25000000  0.90340400  0.52769200  1.0
  O  O13  1  0.45288100  0.28056900  0.68561700  1.0
  O  O14  1  0.95288100  0.71943100  0.31438300  1.0
  O  O15  1  0.04711300  0.20399600  0.20065100  1.0
  O  O16  1  0.75000000  0.40465600  0.97256500  1.0
  O  O17  1  0.95288700  0.79600400  0.79934900  1.0
  O  O18  1  0.25000000  0.59534400  0.02743500  1.0
  O  O19  1  0.75000000  0.09659600  0.47230800  1.0