data_[Nb16Mo8P12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7730]
_cell_length_b [5.6466]
_cell_length_c [12.1218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb4Mo2(PC)3]
_chemical_formula_sum '[Nb16 Mo8 P12 C12]'
_cell_volume [644.4249]
_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  0.1174  0.0852  0.6023  1
  Nb  Nb1  8  0.2166  0.0817  0.8977  1
  Mo  Mo2  8  0.0523  0.4174  0.4096  1
  P  P3  8  0.1564  0.4268  0.7498  1
  P  P4  4  0.0000  0.1040  0.2500  1
  C  C5  8  0.0849  0.2462  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]