data_[K2Sm3Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [6.4199]
_cell_length_b [6.4199]
_cell_length_c [7.1362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [K2Sm3Au]
_chemical_formula_sum '[K2 Sm3 Au1]'
_cell_volume [254.7174]
_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  2  0.3333  0.6667  0.5000  1
  Sm  Sm1  3  0.0000  0.5000  0.0000  1
  Au  Au2  1  0.0000  0.0000  0.5000  1
]