data_[P2H1C1]
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 [Pm]
_cell_length_a [3.2943]
_cell_length_b [2.8642]
_cell_length_c [6.6651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [P2HC]
_chemical_formula_sum '[P2 H1 C1]'
_cell_volume [61.6482]
_cell_formula_units_Z [1]
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  1  0.4281  0.0000  0.7092  1
  P  P1  1  0.8495  0.0000  0.4722  1
  H  H2  1  0.6546  0.5000  0.1652  1
  C  C3  1  0.8017  0.5000  0.3268  1
]