data_[Sc16Zn2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1748]
_cell_length_b [3.3701]
_cell_length_c [11.1268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8ZnC4]
_chemical_formula_sum '[Sc16 Zn2 C8]'
_cell_volume [446.6594]
_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
[
  Sc  Sc0  4  0.0431  0.5000  0.7301  1
  Sc  Sc1  4  0.1374  0.0000  0.5948  1
  Sc  Sc2  4  0.1590  0.0000  0.3377  1
  Sc  Sc3  4  0.1995  0.0000  0.0610  1
  Zn  Zn4  2  0.0000  0.5000  0.0000  1
  C  C5  4  0.1494  0.5000  0.4684  1
  C  C6  4  0.1678  0.0000  0.8264  1
]