data_[Sc2In4Ag2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1806]
_cell_length_b [7.4725]
_cell_length_c [12.4741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ScIn2AgCl6]
_chemical_formula_sum '[Sc2 In4 Ag2 Cl12]'
_cell_volume [551.8825]
_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  0.0000  0.5000  1.0
  In  In1  4  0.2685  0.5669  0.7529  1.0
  Ag  Ag2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1603  0.5147  0.2389  1.0
  Cl  Cl4  4  0.2247  0.2205  0.0378  1.0
  Cl  Cl5  4  0.3215  0.6881  0.0364  1.0
]