data_[Si2As1N1]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.8629]
_cell_length_b [2.8627]
_cell_length_c [9.6612]
_cell_angle_alpha [87.1843]
_cell_angle_beta [85.3547]
_cell_angle_gamma [59.9972]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si2AsN]
_chemical_formula_sum '[Si2 As1 N1]'
_cell_volume [68.3419]
_cell_formula_units_Z [1]
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  1  0.3368  0.1707  0.3788  1
  Si  Si1  1  0.4001  0.1805  0.1299  1
  As  As2  1  0.4660  0.1902  0.8719  1
  N  N3  1  0.9882  0.8350  0.4389  1
]