data_[Si8As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6739]
_cell_length_b [3.8135]
_cell_length_c [6.7428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si2As]
_chemical_formula_sum '[Si8 As4]'
_cell_volume [254.4043]
_cell_formula_units_Z [4]
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
[
  Si  Si0  4  0.1861  0.5000  0.3778  1
  Si  Si1  4  0.2190  0.0000  0.8894  1
  As  As2  4  0.0224  0.0000  0.1966  1
]