# generated using pymatgen
data_Ca2HfO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69338700
_cell_length_b   5.76344600
_cell_length_c   12.02541700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2HfO4
_chemical_formula_sum   'Ca8 Hf4 O16'
_cell_volume   394.59636383
_cell_formula_units_Z   4
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  0.01801000  0.04834500  0.34587000  1.0
  Ca  Ca1  1  0.01801000  0.45165500  0.84587000  1.0
  Ca  Ca2  1  0.48199000  0.54834500  0.34587000  1.0
  Ca  Ca3  1  0.48199000  0.95165500  0.84587000  1.0
  Ca  Ca4  1  0.51801000  0.04834500  0.15413000  1.0
  Ca  Ca5  1  0.51801000  0.45165500  0.65413000  1.0
  Ca  Ca6  1  0.98199000  0.54834500  0.15413000  1.0
  Ca  Ca7  1  0.98199000  0.95165500  0.65413000  1.0
  Hf  Hf8  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf9  1  0.00000000  0.50000000  0.50000000  1.0
  Hf  Hf10  1  0.50000000  0.50000000  0.00000000  1.0
  Hf  Hf11  1  0.50000000  0.00000000  0.50000000  1.0
  O  O12  1  0.08455600  0.46142200  0.33217900  1.0
  O  O13  1  0.08455600  0.03857800  0.83217900  1.0
  O  O14  1  0.19250100  0.30645600  0.02876100  1.0
  O  O15  1  0.19250100  0.19354400  0.52876100  1.0
  O  O16  1  0.30749900  0.80645600  0.02876100  1.0
  O  O17  1  0.30749900  0.69354400  0.52876100  1.0
  O  O18  1  0.41544400  0.53857800  0.83217900  1.0
  O  O19  1  0.41544400  0.96142200  0.33217900  1.0
  O  O20  1  0.58455600  0.03857800  0.66782100  1.0
  O  O21  1  0.58455600  0.46142200  0.16782100  1.0
  O  O22  1  0.69250100  0.30645600  0.47123900  1.0
  O  O23  1  0.69250100  0.19354400  0.97123900  1.0
  O  O24  1  0.80749900  0.80645600  0.47123900  1.0
  O  O25  1  0.80749900  0.69354400  0.97123900  1.0
  O  O26  1  0.91544400  0.96142200  0.16782100  1.0
  O  O27  1  0.91544400  0.53857800  0.66782100  1.0