data_[Ba2Hf2As4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.5343]
_cell_length_b [5.5678]
_cell_length_c [7.8909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaHf(AsO4)2]
_chemical_formula_sum '[Ba2 Hf2 As4 O16]'
_cell_volume [374.1626]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  Hf  Hf1  2  0.0000  0.0000  0.5000  1
  As  As2  4  0.1295  0.5000  0.2800  1
  O  O3  8  0.0142  0.2496  0.3049  1
  O  O4  4  0.1913  0.5000  0.0816  1
  O  O5  4  0.2353  0.0000  0.5515  1
]