# generated using pymatgen
data_Ca3NdTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40555034
_cell_length_b   5.49396866
_cell_length_c   7.69798806
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.91645398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3NdTi4O12
_chemical_formula_sum   'Ca3 Nd1 Ti4 O12'
_cell_volume   228.61402256
_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  0.49238896  0.45723397  0.25000000  1.0
  Ca  Ca1  1  0.99031369  0.04313968  0.75000000  1.0
  Ca  Ca2  1  0.00919095  0.95817890  0.25000000  1.0
  Nd  Nd3  1  0.50837143  0.54372696  0.75000000  1.0
  Ti  Ti4  1  0.00131776  0.49939219  0.49596819  1.0
  Ti  Ti5  1  0.00131776  0.49939219  0.00403181  1.0
  Ti  Ti6  1  0.49902593  0.00161642  0.49643337  1.0
  Ti  Ti7  1  0.49902593  0.00161642  0.00356663  1.0
  O  O8  1  0.07408817  0.47900187  0.75000000  1.0
  O  O9  1  0.92389379  0.52344418  0.25000000  1.0
  O  O10  1  0.42290580  0.98690282  0.75000000  1.0
  O  O11  1  0.57791237  0.01699239  0.25000000  1.0
  O  O12  1  0.78762039  0.78657137  0.95557478  1.0
  O  O13  1  0.20974118  0.21058492  0.45887466  1.0
  O  O14  1  0.20974118  0.21058492  0.04112534  1.0
  O  O15  1  0.78762039  0.78657137  0.54442522  1.0
  O  O16  1  0.70880936  0.29030328  0.96171495  1.0
  O  O17  1  0.29395231  0.70722244  0.46339333  1.0
  O  O18  1  0.29395231  0.70722244  0.03660667  1.0
  O  O19  1  0.70880936  0.29030328  0.53828505  1.0