data_[Ca2Hf2Ge4O14]
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
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.0590]
_cell_length_b [8.8605]
_cell_length_c [4.9150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaHfGe2O7]
_chemical_formula_sum '[Ca2 Hf2 Ge4 O14]'
_cell_volume [300.9949]
_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  2  0.0000  0.2889  0.5000  1.0
  Hf  Hf1  2  0.0000  0.6818  0.5000  1.0
  Ge  Ge2  4  0.2184  0.0068  0.9187  1.0
  O  O3  4  0.1103  0.4979  0.7679  1.0
  O  O4  4  0.1834  0.8358  0.7309  1.0
  O  O5  4  0.2309  0.6532  0.3014  1.0
  O  O6  2  0.0000  0.0816  0.0000  1.0
]