data_[Si2P4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.2298]
_cell_length_b [11.2589]
_cell_length_c [2.8954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiP2C]
_chemical_formula_sum '[Si2 P4 C2]'
_cell_volume [129.6214]
_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
[
  Si  Si0  2  0.2950  0.5000  0.3573  1
  P  P1  4  0.2214  0.1351  0.5778  1
  C  C2  2  0.4973  0.0000  0.7082  1
]