data_[Nb8Zn12Mo16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2112]
_cell_length_b [5.3202]
_cell_length_c [13.8977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb2Zn3Mo4C3]
_chemical_formula_sum '[Nb8 Zn12 Mo16 C12]'
_cell_volume [663.6289]
_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  0.0508  0.4155  0.4007  1
  Zn  Zn1  8  0.2405  0.3445  0.7491  1
  Zn  Zn2  4  0.0000  0.0694  0.7500  1
  Mo  Mo3  8  0.1109  0.0826  0.5817  1
  Mo  Mo4  8  0.2219  0.0844  0.9184  1
  C  C5  8  0.0803  0.2587  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]