data_[Zr16Mn8Cd12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6845]
_cell_length_b [5.5589]
_cell_length_c [14.9320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4Mn2(CdC)3]
_chemical_formula_sum '[Zr16 Mn8 Cd12 C12]'
_cell_volume [785.7404]
_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
[
  Zr  Zr0  8  0.1132  0.0815  0.5871  1
  Zr  Zr1  8  0.2198  0.0818  0.9128  1
  Mn  Mn2  8  0.0589  0.4200  0.4367  1
  Cd  Cd3  8  0.1482  0.4356  0.7495  1
  Cd  Cd4  4  0.0000  0.1194  0.2500  1
  C  C5  8  0.0804  0.2590  0.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]