data_[Sc2Ru2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3452]
_cell_length_b [3.0546]
_cell_length_c [3.1388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScRuCl]
_chemical_formula_sum '[Sc2 Ru2 Cl2]'
_cell_volume [108.5594]
_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  0.3281  0.0000  0.6420  1
  Ru  Ru1  2  0.1830  0.5000  0.1688  1
  Cl  Cl2  2  0.4889  0.5000  0.1892  1
]