data_[Ca4Hf4As4O20]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3509]
_cell_length_b [8.9509]
_cell_length_c [7.8600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaHfAsO5]
_chemical_formula_sum '[Ca4 Hf4 As4 O20]'
_cell_volume [458.5710]
_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  4  0.0000  0.0654  0.7500  1
  Hf  Hf1  4  0.2500  0.2500  0.5000  1
  As  As2  4  0.0000  0.4388  0.7500  1
  O  O3  8  0.0453  0.3033  0.6087  1
  O  O4  8  0.2332  0.0242  0.5799  1
  O  O5  4  0.0000  0.1944  0.2500  1
]