data_[Sc2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.0468]
_cell_length_b [7.0992]
_cell_length_c [6.8986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [ScCl4]
_chemical_formula_sum '[Sc2 Cl8]'
_cell_volume [273.6655]
_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  2  0.0000  0.1298  0.7500  1
  Cl  Cl1  4  0.2293  0.4291  0.8773  1
  Cl  Cl2  4  0.2473  0.0918  0.5228  1
]