data_[K4Rb2Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.8308]
_cell_length_b [8.8308]
_cell_length_c [5.0675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [K2RbCu2]
_chemical_formula_sum '[K4 Rb2 Cu4]'
_cell_volume [395.1841]
_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  4  0.1613  0.6613  0.5000  1
  Rb  Rb1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0976  0.4024  0.0000  1
]