data_[Sc12C6Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9037]
_cell_length_b [10.2210]
_cell_length_c [6.3542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc6C3Cl2]
_chemical_formula_sum '[Sc12 C6 Cl4]'
_cell_volume [364.5418]
_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  8  0.2347  0.1636  0.1948  1
  Sc  Sc1  4  0.2255  0.5000  0.1949  1
  C  C2  4  0.0000  0.3313  0.0000  1
  C  C3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  4  0.0000  0.1665  0.5000  1
]