data_[As2H2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.5886]
_cell_length_b [2.8746]
_cell_length_c [10.9924]
_cell_angle_alpha [90.0765]
_cell_angle_beta [95.9985]
_cell_angle_gamma [89.9947]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsHC]
_chemical_formula_sum '[As2 H2 C2]'
_cell_volume [81.3457]
_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
[
  As  As0  2  0.0501  0.5007  0.6136  1
  H  H1  2  0.3070  0.9934  0.1289  1
  C  C2  2  0.2626  0.9986  0.0284  1
]