data_[Sc4Ga8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.5904]
_cell_length_b [7.1432]
_cell_length_c [9.6071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ScGa2Cl5]
_chemical_formula_sum '[Sc4 Ga8 Cl20]'
_cell_volume [931.4989]
_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  4  0.0000  0.5000  0.0000  1
  Ga  Ga1  8  0.1414  0.0361  0.9996  1
  Cl  Cl2  8  0.0584  0.1910  0.6433  1
  Cl  Cl3  8  0.1721  0.3884  0.1390  1
  Cl  Cl4  4  0.0000  0.3639  0.2500  1
]