data_[Sc2As2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.2965]
_cell_length_b [3.1779]
_cell_length_c [6.6953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScAsCl2]
_chemical_formula_sum '[Sc2 As2 Cl4]'
_cell_volume [248.2104]
_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  0.4879  0.0000  0.3500  1
  As  As1  2  0.1598  0.0000  0.6998  1
  Cl  Cl2  2  0.0027  0.0000  0.0808  1
  Cl  Cl3  2  0.3497  0.5000  0.3695  1
]