data_[As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.8714]
_cell_length_b [5.8781]
_cell_length_c [11.2279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [As]
_chemical_formula_sum '[As16]'
_cell_volume [387.5012]
_cell_formula_units_Z [16]
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  4  0.1289  0.4484  0.4778  1.0
  As  As1  4  0.1815  0.5766  0.6924  1.0
  As  As2  4  0.2005  0.0437  0.5444  1.0
  As  As3  4  0.2250  0.1643  0.7601  1.0
]