data_[Sc16Zn4C8]
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 [Cmcm]
_cell_length_a [3.4204]
_cell_length_b [11.2070]
_cell_length_c [12.1246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc4ZnC2]
_chemical_formula_sum '[Sc16 Zn4 C8]'
_cell_volume [464.7606]
_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
[
  Sc  Sc0  8  0.0000  0.2381  0.6000  1
  Sc  Sc1  4  0.0000  0.0705  0.2500  1
  Sc  Sc2  4  0.0000  0.5000  0.0000  1
  Zn  Zn3  4  0.0000  0.3791  0.2500  1
  C  C4  8  0.0000  0.1346  0.0656  1
]