data_[Ca4Hf2V2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4828]
_cell_length_b [5.5924]
_cell_length_c [9.6138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2HfVO6]
_chemical_formula_sum '[Ca4 Hf2 V2 O12]'
_cell_volume [241.8300]
_cell_formula_units_Z [2]
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  4  0.2397  0.0453  0.2494  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  V  V2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1610  0.2012  0.9523  1.0
  O  O4  4  0.2638  0.7168  0.9557  1.0
  O  O5  4  0.3421  0.0279  0.7547  1.0
]