data_[K2In2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3762]
_cell_length_b [4.8011]
_cell_length_c [6.6440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KInAu2]
_chemical_formula_sum '[K2 In2 Au4]'
_cell_volume [246.0778]
_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  0.2521  0.0000  0.7601  1.0
  In  In1  2  0.4479  0.0000  0.3453  1.0
  Au  Au2  2  0.0574  0.0000  0.1694  1.0
  Au  Au3  2  0.2425  0.5000  0.2251  1.0
]