data_[Si12P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3610]
_cell_length_b [3.5332]
_cell_length_c [9.9434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SiP]
_chemical_formula_sum '[Si12 P12]'
_cell_volume [559.6840]
_cell_formula_units_Z [12]
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  0.0667  0.5000  0.0964  1.0
  Si  Si1  4  0.1370  0.0000  0.4133  1.0
  Si  Si2  4  0.2333  0.0000  0.3008  1.0
  P  P3  4  0.0494  0.5000  0.3146  1.0
  P  P4  4  0.1409  0.0000  0.0623  1.0
  P  P5  4  0.1762  0.0000  0.6605  1.0
]