data_[Cu16As4O24]
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 [Cc]
_cell_length_a [9.3619]
_cell_length_b [5.7719]
_cell_length_c [10.3665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Cu4AsO6]
_chemical_formula_sum '[Cu16 As4 O24]'
_cell_volume [540.1775]
_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  0.0005  0.2826  0.2027  1
  Cu  Cu1  4  0.1840  0.1124  0.8378  1
  Cu  Cu2  4  0.2014  0.2436  0.5498  1
  Cu  Cu3  4  0.2911  0.4603  0.3273  1
  As  As4  4  0.4050  0.2428  0.1051  1
  O  O5  4  0.0339  0.4541  0.5736  1
  O  O6  4  0.1612  0.2242  0.3569  1
  O  O7  4  0.2308  0.1212  0.0466  1
  O  O8  4  0.3038  0.2584  0.7366  1
  O  O9  4  0.4110  0.4897  0.5320  1
  O  O10  4  0.4571  0.2835  0.2774  1
]