data_[Si10P6]
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 [P1]
_cell_length_a [5.6459]
_cell_length_b [6.4444]
_cell_length_c [8.9442]
_cell_angle_alpha [81.7339]
_cell_angle_beta [74.6808]
_cell_angle_gamma [65.9557]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si5P3]
_chemical_formula_sum '[Si10 P6]'
_cell_volume [286.3912]
_cell_formula_units_Z [2]
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  0.0508  0.2823  0.7547  1
  Si  Si1  1  0.1433  0.8927  0.7787  1
  Si  Si2  1  0.1625  0.4956  0.5322  1
  Si  Si3  1  0.2776  0.2167  0.3451  1
  Si  Si4  1  0.3299  0.2851  0.9107  1
  Si  Si5  1  0.4239  0.7135  0.2144  1
  Si  Si6  1  0.5825  0.4614  0.5496  1
  Si  Si7  1  0.6923  0.2978  0.2154  1
  Si  Si8  1  0.8384  0.8613  0.6396  1
  Si  Si9  1  0.9802  0.7465  0.2383  1
  P  P10  1  0.0683  0.4064  0.1462  1
  P  P11  1  0.5574  0.9057  0.9837  1
  P  P12  1  0.5657  0.8012  0.4098  1
  P  P13  1  0.5781  0.5068  0.7994  1
  P  P14  1  0.8617  0.9983  0.0361  1
  P  P15  1  0.8940  0.1288  0.4393  1
]