data_[Sc3Ti1Cd2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2582]
_cell_length_b [3.2582]
_cell_length_c [15.3310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sc3Ti(CdC)2]
_chemical_formula_sum '[Sc3 Ti1 Cd2 C2]'
_cell_volume [140.9503]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5824  1
  Sc  Sc1  1  0.6667  0.3333  0.0752  1
  Sc  Sc2  1  0.6667  0.3333  0.4205  1
  Ti  Ti3  1  0.0000  0.0000  0.9230  1
  Cd  Cd4  1  0.0000  0.0000  0.2465  1
  Cd  Cd5  1  0.6667  0.3333  0.7619  1
  C  C6  1  0.3333  0.6667  0.5016  1
  C  C7  1  0.3333  0.6667  0.9889  1
]