data_[K4Zn2In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5416]
_cell_length_b [4.6962]
_cell_length_c [9.0671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2ZnIn]
_chemical_formula_sum '[K4 Zn2 In2]'
_cell_volume [345.7818]
_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  0.2875  0.5000  0.3525  1.0
  K  K1  2  0.4650  0.5000  0.8972  1.0
  Zn  Zn2  2  0.0380  0.5000  0.6253  1.0
  In  In3  2  0.2095  0.0000  0.6249  1.0
]