data_[Sc12Zn4C4]
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 [10.5588]
_cell_length_b [6.4770]
_cell_length_c [5.6512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3ZnC]
_chemical_formula_sum '[Sc12 Zn4 C4]'
_cell_volume [374.1415]
_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  0.0859  0.2327  0.7934  1.0
  Sc  Sc1  4  0.1680  0.0000  0.3334  1.0
  Zn  Zn2  4  0.1434  0.5000  0.2187  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
  C  C4  2  0.0000  0.0000  0.5000  1.0
]