data_[P4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2085]
_cell_length_b [3.3144]
_cell_length_c [5.1198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PH]
_chemical_formula_sum '[P4 H4]'
_cell_volume [134.8268]
_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
[
  P  P0  2  0.4068  0.0000  0.6301  1.0
  P  P1  2  0.4461  0.5000  0.9297  1.0
  H  H2  2  0.2268  0.0000  0.5394  1.0
  H  H3  2  0.2859  0.5000  0.9938  1.0
]