# generated using pymatgen
data_Ca2LaNdTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76164501
_cell_length_b   5.45847650
_cell_length_c   5.53730527
_cell_angle_alpha   90.01042680
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2LaNdTi4O12
_chemical_formula_sum   'Ca2 La1 Nd1 Ti4 O12'
_cell_volume   234.59766213
_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
  Ca  Ca0  1  0.50000000  0.49160245  0.54614175  1.0
  Ca  Ca1  1  0.00000000  0.99186794  0.95661323  1.0
  La  La2  1  0.00000000  0.50718893  0.46426980  1.0
  Nd  Nd3  1  0.50000000  0.00785507  0.04265717  1.0
  Ti  Ti4  1  0.25171429  0.00019236  0.50105956  1.0
  Ti  Ti5  1  0.74976235  0.50088612  0.99957350  1.0
  Ti  Ti6  1  0.74828571  0.00019236  0.50105956  1.0
  Ti  Ti7  1  0.25023765  0.50088612  0.99957350  1.0
  O  O8  1  0.21100929  0.79344939  0.20808527  1.0
  O  O9  1  0.78517718  0.71065251  0.71119446  1.0
  O  O10  1  0.70933407  0.20998593  0.78930855  1.0
  O  O11  1  0.29219140  0.29048592  0.28908495  1.0
  O  O12  1  0.29066593  0.20998593  0.78930855  1.0
  O  O13  1  0.70780860  0.29048592  0.28908495  1.0
  O  O14  1  0.78899071  0.79344939  0.20808527  1.0
  O  O15  1  0.21482282  0.71065251  0.71119446  1.0
  O  O16  1  0.50000000  0.92188636  0.48066445  1.0
  O  O17  1  0.50000000  0.57658462  0.98203885  1.0
  O  O18  1  0.00000000  0.06714549  0.52007747  1.0
  O  O19  1  0.00000000  0.42456167  0.01092371  1.0