# generated using pymatgen
data_Ca3ErTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34143814
_cell_length_b   5.49457558
_cell_length_c   7.63624246
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.83800039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3ErTi4O12
_chemical_formula_sum   'Ca3 Er1 Ti4 O12'
_cell_volume   224.11469210
_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  0.49088870  0.45523694  0.25000000  1.0
  Ca  Ca1  1  0.98944407  0.04913491  0.75000000  1.0
  Ca  Ca2  1  0.01204981  0.95028915  0.25000000  1.0
  Er  Er3  1  0.51355851  0.56236704  0.75000000  1.0
  Ti  Ti4  1  0.00308838  0.49875532  0.49907349  1.0
  Ti  Ti5  1  0.00308838  0.49875532  0.00092651  1.0
  Ti  Ti6  1  0.49777234  0.00347701  0.49897445  1.0
  Ti  Ti7  1  0.49777234  0.00347701  0.00102555  1.0
  O  O8  1  0.10412203  0.47648733  0.75000000  1.0
  O  O9  1  0.92212056  0.52079356  0.25000000  1.0
  O  O10  1  0.41643426  0.96802009  0.75000000  1.0
  O  O11  1  0.58332368  0.02382621  0.25000000  1.0
  O  O12  1  0.78785439  0.78548038  0.94965182  1.0
  O  O13  1  0.20114027  0.20377229  0.45792915  1.0
  O  O14  1  0.20114027  0.20377229  0.04207085  1.0
  O  O15  1  0.78785439  0.78548038  0.55034818  1.0
  O  O16  1  0.69687028  0.30091788  0.94691264  1.0
  O  O17  1  0.29730304  0.70451901  0.46232772  1.0
  O  O18  1  0.29730304  0.70451901  0.03767228  1.0
  O  O19  1  0.69687028  0.30091788  0.55308736  1.0