data_[K4Ga1Au3]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5551]
_cell_length_b [4.8736]
_cell_length_c [12.4624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [K4GaAu3]
_chemical_formula_sum '[K4 Ga1 Au3]'
_cell_volume [276.6671]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8457  1
  K  K1  1  0.0000  0.5000  0.3631  1
  K  K2  1  0.5000  0.0000  0.1573  1
  K  K3  1  0.5000  0.5000  0.6333  1
  Ga  Ga4  1  0.5000  0.5000  0.9517  1
  Au  Au5  1  0.0000  0.0000  0.5712  1
  Au  Au6  1  0.0000  0.5000  0.0492  1
  Au  Au7  1  0.5000  0.0000  0.4283  1
]