data_[Cu4As4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.6620]
_cell_length_b [4.9424]
_cell_length_c [6.2247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CuAsO2]
_chemical_formula_sum '[Cu4 As4 O8]'
_cell_volume [248.7283]
_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
[
  Cu  Cu0  4  0.1363  0.4064  0.8259  1.0
  As  As1  4  0.1453  0.4130  0.3207  1.0
  O  O2  4  0.2452  0.0313  0.8461  1.0
  O  O3  4  0.2472  0.0727  0.3931  1.0
]