# generated using pymatgen
data_Li2CaTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50266770
_cell_length_b   5.51455403
_cell_length_c   9.41837285
_cell_angle_alpha   90.00000000
_cell_angle_beta   106.98516354
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaTa2O7
_chemical_formula_sum   'Li4 Ca2 Ta4 O14'
_cell_volume   273.33185213
_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
  Li  Li0  1  0.73685137  0.50000000  0.47370174  1
  Li  Li1  1  0.73685137  0.00000000  0.47370174  1
  Li  Li2  1  0.26314863  0.50000000  0.52629826  1
  Li  Li3  1  0.26314863  0.00000000  0.52629826  1
  Ca  Ca4  1  0.25095780  0.25000000  0.00000000  1
  Ca  Ca5  1  0.74904220  0.75000000  -0.00000000  1
  Ta  Ta6  1  0.64097745  0.25000000  0.77358190  1
  Ta  Ta7  1  0.13260445  0.75000000  0.77358190  1
  Ta  Ta8  1  0.35902255  0.75000000  0.22641810  1
  Ta  Ta9  1  0.86739555  0.25000000  0.22641810  1
  O  O10  1  0.66965378  0.25000000  -0.00000000  1
  O  O11  1  0.33034622  0.75000000  0.00000000  1
  O  O12  1  0.58766535  0.25000000  0.56926281  1
  O  O13  1  0.98159645  0.75000000  0.56926281  1
  O  O14  1  0.41233465  0.75000000  0.43073719  1
  O  O15  1  0.01840355  0.25000000  0.43073719  1
  O  O16  1  0.37993997  0.50000000  0.75987895  1
  O  O17  1  0.37993997  -0.00000000  0.75987895  1
  O  O18  1  0.62006003  0.50000000  0.24012105  1
  O  O19  1  0.62006003  0.00000000  0.24012105  1
  O  O20  1  0.91530570  0.50000000  0.83061340  1
  O  O21  1  0.91530570  0.00000000  0.83061340  1
  O  O22  1  0.08469430  0.50000000  0.16938660  1
  O  O23  1  0.08469430  -0.00000000  0.16938660  1
