data_[Si2P4H2]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.6454]
_cell_length_b [5.6974]
_cell_length_c [5.3010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SiP2H]
_chemical_formula_sum '[Si2 P4 H2]'
_cell_volume [134.3323]
_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  0.0000  0.9158  0.5000  1
  P  P1  4  0.2164  0.2387  0.7278  1
  H  H2  2  0.0000  0.6796  0.0000  1
]