# generated using pymatgen
data_Li2CaTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72038430
_cell_length_b   9.72038430
_cell_length_c   9.72038430
_cell_angle_alpha   156.52319164
_cell_angle_beta   156.52319164
_cell_angle_gamma   33.44213654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaTa2O7
_chemical_formula_sum   'Li2 Ca1 Ta2 O7'
_cell_volume   145.62484029
_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  0.75000000  0.25000000  0.50000000  1
  Li  Li1  1  0.25000000  0.75000000  0.50000000  1
  Ca  Ca2  1  0.00000000  0.00000000  0.00000000  1
  Ta  Ta3  1  0.61147000  0.61147000  0.00000000  1
  Ta  Ta4  1  0.38853000  0.38853000  0.00000000  1
  O  O5  1  0.59964600  0.09964600  0.50000000  1
  O  O6  1  0.28618800  0.28618800  0.00000000  1
  O  O7  1  0.90035400  0.40035400  0.50000000  1
  O  O8  1  0.40035400  0.90035400  0.50000000  1
  O  O9  1  0.71381200  0.71381200  0.00000000  1
  O  O10  1  0.09964600  0.59964600  0.50000000  1
  O  O11  1  0.50000000  0.50000000  0.00000000  1
