data_[K8Ga2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [11.2039]
_cell_length_b [11.2039]
_cell_length_c [7.1140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [K4GaI5]
_chemical_formula_sum '[K8 Ga2 I10]'
_cell_volume [893.0070]
_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  8  0.0979  0.7005  0.4969  1.0
  Ga  Ga1  2  0.0000  0.0000  0.9798  1.0
  I  I2  8  0.0958  0.7096  0.9969  1.0
  I  I3  2  0.0000  0.0000  0.5348  1.0
]