data_[As4P8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1267]
_cell_length_b [14.7297]
_cell_length_c [5.4966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [As(PH)2]
_chemical_formula_sum '[As4 P8 H8]'
_cell_volume [382.5790]
_cell_formula_units_Z [4]
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
[
  As  As0  4  0.0778  0.7406  0.8339  1
  P  P1  4  0.1795  0.5228  0.1549  1
  P  P2  4  0.3476  0.6042  0.9090  1
  H  H3  4  0.2029  0.1866  0.7755  1
  H  H4  4  0.4204  0.1405  0.3700  1
]