data_[K8Ga4Sn4Br20]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5314]
_cell_length_b [19.2093]
_cell_length_c [15.3729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2GaSnBr5]
_chemical_formula_sum '[K8 Ga4 Sn4 Br20]'
_cell_volume [1338.1235]
_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  0.0805  0.6504  1.0
  K  K1  4  0.0000  0.1302  0.2953  1.0
  Ga  Ga2  4  0.0000  0.4532  0.4468  1.0
  Sn  Sn3  4  0.0000  0.2336  0.0323  1.0
  Br  Br4  4  0.0000  0.0840  0.0714  1.0
  Br  Br5  4  0.0000  0.2539  0.6687  1.0
  Br  Br6  4  0.0000  0.2875  0.4039  1.0
  Br  Br7  4  0.0000  0.3877  0.9902  1.0
  Br  Br8  4  0.0000  0.4980  0.7650  1.0
]