data_[Si2P2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [3.5419]
_cell_length_b [5.9443]
_cell_length_c [7.5809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SiPCl]
_chemical_formula_sum '[Si2 P2 Cl2]'
_cell_volume [159.5821]
_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  0.2528  0.5696  0.5707  1.0
  P  P1  2  0.2535  0.9538  0.5921  1.0
  Cl  Cl2  2  0.2636  0.4747  0.8333  1.0
]