data_[Si4As8]
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 [12.9792]
_cell_length_b [3.6746]
_cell_length_c [7.0779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SiAs2]
_chemical_formula_sum '[Si4 As8]'
_cell_volume [318.0259]
_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  0.2019  0.0000  0.1181  1.0
  As  As1  4  0.1140  0.5000  0.9039  1.0
  As  As2  4  0.1797  0.0000  0.4419  1.0
]