data_[K2Ga4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0508]
_cell_length_b [9.1988]
_cell_length_c [7.1949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(GaBr4)2]
_chemical_formula_sum '[K2 Ga4 Br16]'
_cell_volume [1007.1749]
_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  0.0000  1.0
  Ga  Ga1  4  0.1752  0.0000  0.6759  1.0
  Br  Br2  8  0.0933  0.2079  0.7185  1.0
  Br  Br3  4  0.1912  0.5000  0.0641  1.0
  Br  Br4  4  0.1949  0.0000  0.3671  1.0
]