data_[Pa16Si4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6903]
_cell_length_b [12.2605]
_cell_length_c [11.9229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pa4SiC2]
_chemical_formula_sum '[Pa16 Si4 C8]'
_cell_volume [539.4550]
_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
[
  Pa  Pa0  8  0.0000  0.2281  0.6207  1
  Pa  Pa1  4  0.0000  0.0772  0.2500  1
  Pa  Pa2  4  0.0000  0.5000  0.0000  1
  Si  Si3  4  0.0000  0.4071  0.2500  1
  C  C4  8  0.0000  0.1409  0.0563  1
]