data_[Si3Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5693]
_cell_length_b [3.6783]
_cell_length_c [4.9267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Si3Sb]
_chemical_formula_sum '[Si3 Sb1]'
_cell_volume [79.4012]
_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  2  0.2416  0.5000  0.6842  1
  Si  Si1  1  0.5000  0.0000  0.5000  1
  Sb  Sb2  1  0.0000  0.0000  0.0000  1
]