data_[K2Sc2Co4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4343]
_cell_length_b [7.1699]
_cell_length_c [9.2836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSc(CoCl4)2]
_chemical_formula_sum '[K2 Sc2 Co4 Cl16]'
_cell_volume [692.9159]
_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
[
  K  K0  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.1251  0.5000  0.7895  1.0
  Cl  Cl3  8  0.0070  0.2441  0.1969  1.0
  Cl  Cl4  4  0.2012  0.5000  0.5774  1.0
  Cl  Cl5  4  0.2383  0.0000  0.0089  1.0
]