data_[K2In1Cu1]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7521]
_cell_length_b [3.7521]
_cell_length_c [10.1436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [K2InCu]
_chemical_formula_sum '[K2 In1 Cu1]'
_cell_volume [142.8047]
_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  0.9241  1
  K  K1  1  0.5000  0.5000  0.3281  1
  In  In2  1  0.5000  0.5000  0.6689  1
  Cu  Cu3  1  0.0000  0.0000  0.5789  1
]