# generated using pymatgen
data_Ca2Ta2TiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92121875
_cell_length_b   9.92121875
_cell_length_c   5.46956763
_cell_angle_alpha   88.72132524
_cell_angle_beta   88.72132524
_cell_angle_gamma   37.35005015
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ta2TiO8
_chemical_formula_sum   'Ca4 Ta4 Ti2 O16'
_cell_volume   326.53097643
_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  0.88670000  0.52677500  0.75546900  1.0
  Ca  Ca1  1  0.47322500  0.11330000  0.74453100  1.0
  Ca  Ca2  1  0.11330000  0.47322500  0.24453100  1.0
  Ca  Ca3  1  0.52677500  0.88670000  0.25546900  1.0
  Ta  Ta4  1  0.03536600  0.74281200  0.76102100  1.0
  Ta  Ta5  1  0.25718800  0.96463400  0.73897800  1.0
  Ta  Ta6  1  0.96463400  0.25718800  0.23897800  1.0
  Ta  Ta7  1  0.74281200  0.03536600  0.26102200  1.0
  Ti  Ti8  1  0.61575600  0.38424400  0.75000000  1.0
  Ti  Ti9  1  0.38424400  0.61575600  0.25000000  1.0
  O  O10  1  0.06793000  0.79418700  0.09831300  1.0
  O  O11  1  0.20581300  0.93207000  0.40168700  1.0
  O  O12  1  0.93207000  0.20581300  0.90168700  1.0
  O  O13  1  0.79418700  0.06793000  0.59831300  1.0
  O  O14  1  0.29836800  0.59077500  0.58285100  1.0
  O  O15  1  0.40922500  0.70163200  0.91714900  1.0
  O  O16  1  0.70163200  0.40922500  0.41714900  1.0
  O  O17  1  0.59077500  0.29836800  0.08285100  1.0
  O  O18  1  0.88076700  0.76027500  0.49424400  1.0
  O  O19  1  0.23972500  0.11923300  0.00575600  1.0
  O  O20  1  0.47061700  0.16019000  0.33956600  1.0
  O  O21  1  0.83981000  0.52938300  0.16043400  1.0
  O  O22  1  0.52938300  0.83981000  0.66043400  1.0
  O  O23  1  0.16019000  0.47061700  0.83956600  1.0
  O  O24  1  0.76027500  0.88076700  0.99424400  1.0
  O  O25  1  0.11923300  0.23972500  0.50575600  1.0