# generated using pymatgen
data_Ca3GdTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66839809
_cell_length_b   5.37353266
_cell_length_c   5.49783875
_cell_angle_alpha   89.87097342
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3GdTi4O12
_chemical_formula_sum   'Ca3 Gd1 Ti4 O12'
_cell_volume   226.54550024
_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  0.48956277  0.54710139  1.0
  Ca  Ca1  1  0.00000000  0.99187523  0.95530890  1.0
  Ca  Ca2  1  0.00000000  0.50989145  0.45342461  1.0
  Gd  Gd3  1  0.50000000  0.01096929  0.05465288  1.0
  Ti  Ti4  1  0.24769241  0.99826283  0.50260602  1.0
  Ti  Ti5  1  0.75247097  0.50239767  0.99903273  1.0
  Ti  Ti6  1  0.75230759  0.99826283  0.50260602  1.0
  Ti  Ti7  1  0.24752903  0.50239767  0.99903273  1.0
  O  O8  1  0.50000000  0.58750659  0.97772670  1.0
  O  O9  1  0.50000000  0.91982967  0.47774506  1.0
  O  O10  1  0.00000000  0.42345307  0.02190413  1.0
  O  O11  1  0.00000000  0.07983318  0.52089177  1.0
  O  O12  1  0.78690946  0.79694664  0.20460402  1.0
  O  O13  1  0.20850069  0.70422449  0.70605707  1.0
  O  O14  1  0.29526837  0.20232436  0.79593676  1.0
  O  O15  1  0.70354855  0.28938339  0.28738567  1.0
  O  O16  1  0.70473163  0.20232436  0.79593676  1.0
  O  O17  1  0.29645145  0.28938339  0.28738567  1.0
  O  O18  1  0.21309054  0.79694664  0.20460402  1.0
  O  O19  1  0.79149931  0.70422449  0.70605707  1.0