# generated using pymatgen
data_Ca3NdTi8O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83678924
_cell_length_b   7.61951778
_cell_length_c   8.60007291
_cell_angle_alpha   90.03613557
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3NdTi8O20
_chemical_formula_sum   'Ca3 Nd1 Ti8 O20'
_cell_volume   382.47543310
_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  0.00000000  0.36431400  0.66523259  1.0
  Ca  Ca1  1  0.00000000  0.63847342  0.33577432  1.0
  Ca  Ca2  1  0.00000000  0.85481465  0.83069001  1.0
  Nd  Nd3  1  0.00000000  0.13378120  0.16568753  1.0
  Ti  Ti4  1  0.50000000  0.11678687  0.85551392  1.0
  Ti  Ti5  1  0.50000000  0.88390330  0.14292355  1.0
  Ti  Ti6  1  0.50000000  0.61452860  0.64075806  1.0
  Ti  Ti7  1  0.50000000  0.38457446  0.35826120  1.0
  Ti  Ti8  1  0.24169603  0.50183802  0.99883972  1.0
  Ti  Ti9  1  0.75773654  0.00101510  0.50442176  1.0
  Ti  Ti10  1  0.75830397  0.50183802  0.99883972  1.0
  Ti  Ti11  1  0.24226346  0.00101510  0.50442176  1.0
  O  O12  1  0.25771008  0.90399558  0.29121357  1.0
  O  O13  1  0.25877725  0.10478051  0.70723493  1.0
  O  O14  1  0.74140430  0.38941321  0.20508268  1.0
  O  O15  1  0.73953595  0.60319572  0.79385034  1.0
  O  O16  1  0.74122275  0.10478051  0.70723493  1.0
  O  O17  1  0.74228992  0.90399558  0.29121357  1.0
  O  O18  1  0.26046405  0.60319572  0.79385034  1.0
  O  O19  1  0.25859570  0.38941321  0.20508268  1.0
  O  O20  1  0.50000000  0.33934258  0.92488900  1.0
  O  O21  1  0.50000000  0.65786728  0.08012908  1.0
  O  O22  1  0.50000000  0.83981316  0.57361454  1.0
  O  O23  1  0.50000000  0.16183050  0.42869559  1.0
  O  O24  1  0.28596512  0.99915039  0.99900073  1.0
  O  O25  1  0.71392995  0.50120848  0.49849612  1.0
  O  O26  1  0.71403488  0.99915039  0.99900073  1.0
  O  O27  1  0.28607005  0.50120848  0.49849612  1.0
  O  O28  1  0.00000000  0.16183486  0.44386164  1.0
  O  O29  1  0.00000000  0.83952653  0.55589447  1.0
  O  O30  1  0.00000000  0.66088449  0.05823864  1.0
  O  O31  1  0.00000000  0.33853008  0.94355714  1.0