data_[Cu2As6O16]
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/m]
_cell_length_a [8.0801]
_cell_length_b [5.4187]
_cell_length_c [6.4552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuAs3O8]
_chemical_formula_sum '[Cu2 As6 O16]'
_cell_volume [282.0995]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1
  As  As1  4  0.1575  0.5000  0.7357  1
  As  As2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0216  0.2426  0.7130  1
  O  O4  4  0.2289  0.0000  0.4857  1
  O  O5  4  0.2409  0.0000  0.0332  1
]