data_[Ca4Hf2Sn2O12]
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
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5865]
_cell_length_b [5.7537]
_cell_length_c [9.7732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2HfSnO6]
_chemical_formula_sum '[Ca4 Hf2 Sn2 O12]'
_cell_volume [257.4750]
_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  0.2620  0.5500  0.7489  1.0
  Hf  Hf1  2  0.5000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1477  0.5375  0.2503  1.0
  O  O4  4  0.2526  0.2015  0.0530  1.0
  O  O5  4  0.3556  0.7031  0.0550  1.0
]