# generated using pymatgen
data_Li2CaTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45577495
_cell_length_b   5.52159454
_cell_length_c   18.16460390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaTa2O7
_chemical_formula_sum   'Li8 Ca4 Ta8 O28'
_cell_volume   547.20101205
_cell_formula_units_Z   4
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  0.74870926  0.49214506  0.98746272  1
  Li  Li1  1  0.25129074  0.50785494  0.48746272  1
  Li  Li2  1  0.24870926  0.00785494  0.48746272  1
  Li  Li3  1  0.75129074  0.99214506  0.98746272  1
  Li  Li4  1  0.25129074  0.50785494  0.01253728  1
  Li  Li5  1  0.74870926  0.49214506  0.51253728  1
  Li  Li6  1  0.75129074  0.99214506  0.51253728  1
  Li  Li7  1  0.24870926  0.00785494  0.01253728  1
  Ca  Ca8  1  -0.00187080  0.20672098  0.25000000  1
  Ca  Ca9  1  0.00187080  0.79327902  0.75000000  1
  Ca  Ca10  1  0.49812920  0.29327902  0.75000000  1
  Ca  Ca11  1  0.50187080  0.70672098  0.25000000  1
  Ta  Ta12  1  0.49841141  0.75869211  0.63724116  1
  Ta  Ta13  1  0.50158859  0.24130789  0.13724116  1
  Ta  Ta14  1  0.99841141  0.74130789  0.13724116  1
  Ta  Ta15  1  0.00158859  0.25869211  0.63724116  1
  Ta  Ta16  1  0.50158859  0.24130789  0.36275884  1
  Ta  Ta17  1  0.49841141  0.75869211  0.86275884  1
  Ta  Ta18  1  0.00158859  0.25869211  0.86275884  1
  Ta  Ta19  1  0.99841141  0.74130789  0.36275884  1
  O  O20  1  0.07890507  0.77104045  0.25000000  1
  O  O21  1  0.92109493  0.22895955  0.75000000  1
  O  O22  1  0.57890507  0.72895955  0.75000000  1
  O  O23  1  0.42109493  0.27104045  0.25000000  1
  O  O24  1  0.04926554  0.25656876  0.96464086  1
  O  O25  1  0.95073446  0.74343124  0.46464086  1
  O  O26  1  0.54926554  0.24343124  0.46464086  1
  O  O27  1  0.45073446  0.75656876  0.96464086  1
  O  O28  1  0.95073446  0.74343124  0.03535914  1
  O  O29  1  0.04926554  0.25656876  0.53535914  1
  O  O30  1  0.45073446  0.75656876  0.53535914  1
  O  O31  1  0.54926554  0.24343124  0.03535914  1
  O  O32  1  0.20842539  0.04172707  0.36915982  1
  O  O33  1  0.79157461  0.95827293  0.86915982  1
  O  O34  1  0.70842539  0.45827293  0.86915982  1
  O  O35  1  0.29157461  0.54172707  0.36915982  1
  O  O36  1  0.79157461  0.95827293  0.63084018  1
  O  O37  1  0.20842539  0.04172707  0.13084018  1
  O  O38  1  0.29157461  0.54172707  0.13084018  1
  O  O39  1  0.70842539  0.45827293  0.63084018  1
  O  O40  1  0.21865093  0.52950780  0.66467977  1
  O  O41  1  0.78134907  0.47049220  0.16467977  1
  O  O42  1  0.71865093  0.97049220  0.16467977  1
  O  O43  1  0.28134907  0.02950780  0.66467977  1
  O  O44  1  0.78134907  0.47049220  0.33532023  1
  O  O45  1  0.21865093  0.52950780  0.83532023  1
  O  O46  1  0.28134907  0.02950780  0.83532023  1
  O  O47  1  0.71865093  0.97049220  0.33532023  1
