data_[K8Mg4Ga4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5670]
_cell_length_b [20.1830]
_cell_length_c [16.5357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2MgGaI5]
_chemical_formula_sum '[K8 Mg4 Ga4 I20]'
_cell_volume [1524.1848]
_cell_formula_units_Z [4]
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  4  0.0000  0.0767  0.6436  1
  K  K1  4  0.0000  0.1360  0.2976  1
  Mg  Mg2  4  0.0000  0.2341  0.0335  1
  Ga  Ga3  4  0.0000  0.4455  0.4494  1
  I  I4  4  0.0000  0.0945  0.0737  1
  I  I5  4  0.0000  0.2494  0.6565  1
  I  I6  4  0.0000  0.2923  0.4143  1
  I  I7  4  0.0000  0.3715  0.9877  1
  I  I8  4  0.0000  0.4974  0.7678  1
]