data_[Zn4Fe12C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0714]
_cell_length_b [2.7512]
_cell_length_c [8.6720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ZnFe3C]
_chemical_formula_sum '[Zn4 Fe12 C4]'
_cell_volume [216.4331]
_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
[
  Zn  Zn0  4  0.1304  0.2500  0.0013  1
  Fe  Fe1  4  0.0496  0.7500  0.7528  1
  Fe  Fe2  4  0.1217  0.2500  0.4943  1
  Fe  Fe3  4  0.2169  0.7500  0.2411  1
  C  C4  4  0.0427  0.7500  0.3622  1
]