data_[As2P2C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.2617]
_cell_length_b [3.0848]
_cell_length_c [4.7547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AsPC2]
_chemical_formula_sum '[As2 P2 C4]'
_cell_volume [104.3733]
_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
[
  As  As0  2  0.2175  0.5000  0.4220  1
  P  P1  2  0.3885  0.0000  0.9280  1
  C  C2  2  0.1531  0.0000  0.6619  1
  C  C3  2  0.4662  0.5000  0.7425  1
]