data_[Ca2Hf2As4O16]
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/m]
_cell_length_a [8.5647]
_cell_length_b [5.6509]
_cell_length_c [7.2830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaHf(AsO4)2]
_chemical_formula_sum '[Ca2 Hf2 As4 O16]'
_cell_volume [352.4724]
_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  0.0000  0.5000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.1451  0.5000  0.2360  1.0
  O  O3  8  0.0280  0.2486  0.2144  1.0
  O  O4  4  0.2319  0.5000  0.4424  1.0
  O  O5  4  0.2332  0.0000  0.9492  1.0
]