data_[As16C24]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.8406]
_cell_length_b [9.9449]
_cell_length_c [7.5100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [As2C3]
_chemical_formula_sum '[As16 C24]'
_cell_volume [660.2682]
_cell_formula_units_Z [8]
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  16  0.0891  0.3016  0.8287  1
  C  C1  16  0.1186  0.4238  0.6239  1
  C  C2  8  0.0000  0.0000  0.0949  1
]