data_[P4H2C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9390]
_cell_length_b [2.8608]
_cell_length_c [6.3266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [P2HC]
_chemical_formula_sum '[P4 H2 C2]'
_cell_volume [122.6012]
_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
[
  P  P0  2  0.0049  0.5000  0.6276  1
  P  P1  2  0.2192  0.0000  0.5347  1
  H  H2  2  0.4283  0.0000  0.1420  1
  C  C3  2  0.0512  0.5000  0.3691  1
]