data_[Nb16P4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2913]
_cell_length_b [10.5791]
_cell_length_c [10.9651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nb4PC2]
_chemical_formula_sum '[Nb16 P4 C8]'
_cell_volume [381.8015]
_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
[
  Nb  Nb0  8  0.0000  0.2326  0.6122  1
  Nb  Nb1  4  0.0000  0.0626  0.2500  1
  Nb  Nb2  4  0.0000  0.5000  0.0000  1
  P  P3  4  0.0000  0.3888  0.2500  1
  C  C4  8  0.0000  0.1352  0.0631  1
]