data_[Nb12Zn4C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4806]
_cell_length_b [6.5868]
_cell_length_c [9.7762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nb6Zn2C]
_chemical_formula_sum '[Nb12 Zn4 C2]'
_cell_volume [296.5483]
_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
[
  Nb  Nb0  4  0.1185  0.6705  0.9608  1
  Nb  Nb1  4  0.2989  0.2031  0.9536  1
  Nb  Nb2  4  0.3276  0.5078  0.7305  1
  Zn  Zn3  4  0.1906  0.6077  0.2585  1
  C  C4  2  0.5000  0.0000  0.5000  1
]