data_[Sc8C4Cl10]
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 [18.0363]
_cell_length_b [3.4899]
_cell_length_c [7.1586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc4C2Cl5]
_chemical_formula_sum '[Sc8 C4 Cl10]'
_cell_volume [444.0781]
_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  0.0081  0.0000  0.7034  1.0
  Sc  Sc1  4  0.1534  0.5000  0.5692  1.0
  C  C2  4  0.0396  0.5000  0.5081  1.0
  Cl  Cl3  4  0.1562  0.0000  0.8305  1.0
  Cl  Cl4  4  0.1861  0.0000  0.3304  1.0
  Cl  Cl5  2  0.0000  0.5000  0.0000  1.0
]