data_[Al4Cd4As4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  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 [6.8321]
_cell_length_b [8.6893]
_cell_length_c [6.9898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlCdAsO5]
_chemical_formula_sum '[Al4 Cd4 As4 O20]'
_cell_volume [380.1665]
_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
[
  Al  Al0  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.0000  0.3155  0.7500  1.0
  As  As2  4  0.0000  0.3267  0.2500  1.0
  O  O3  8  0.0957  0.2125  0.1043  1.0
  O  O4  8  0.1881  0.4503  0.4165  1.0
  O  O5  4  0.0000  0.0636  0.7500  1.0
]