data_[Si4P2]
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 [P-1]
_cell_length_a [3.6358]
_cell_length_b [5.4155]
_cell_length_c [7.2411]
_cell_angle_alpha [88.9413]
_cell_angle_beta [76.4950]
_cell_angle_gamma [70.4426]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Si2P]
_chemical_formula_sum '[Si4 P2]'
_cell_volume [130.3555]
_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  2  0.3062  0.4847  0.8955  1
  Si  Si1  2  0.4381  0.9699  0.1658  1
  P  P2  2  0.2327  0.8201  0.6920  1
]