data_[K6Sc3Ga3Cl18]
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
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4957]
_cell_length_b [7.4957]
_cell_length_c [18.7557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2ScGaCl6]
_chemical_formula_sum '[K6 Sc3 Ga3 Cl18]'
_cell_volume [912.6214]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4584  1
  K  K1  3  0.0000  0.0000  0.9658  1
  Sc  Sc2  3  0.0000  0.0000  0.6789  1
  Ga  Ga3  3  0.0000  0.0000  0.1867  1
  Cl  Cl4  9  0.0283  0.4264  0.4186  1
  Cl  Cl5  9  0.0955  0.7235  0.2643  1
]