data_[As2C1O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6795]
_cell_length_b [4.8215]
_cell_length_c [6.5064]
_cell_angle_alpha [99.5404]
_cell_angle_beta [102.2456]
_cell_angle_gamma [111.3877]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [As2CO5]
_chemical_formula_sum '[As2 C1 O5]'
_cell_volume [128.7235]
_cell_formula_units_Z [1]
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
[
  As  As0  1  0.6294  0.9854  0.6397  1.0
  As  As1  1  0.9689  0.4276  0.3640  1.0
  C  C2  1  0.5575  0.4144  0.9771  1.0
  O  O3  1  0.1932  0.8270  0.5264  1.0
  O  O4  1  0.3695  0.4815  0.8559  1.0
  O  O5  1  0.6616  0.1953  0.9205  1.0
  O  O6  1  0.6839  0.5587  0.1919  1.0
  O  O7  1  0.6887  0.3117  0.5208  1.0
]