data_[K3Cu2Pd1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.3902]
_cell_length_b [7.3902]
_cell_length_c [9.4133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Cu2PdBr8]
_chemical_formula_sum '[K3 Cu2 Pd1 Br8]'
_cell_volume [445.2351]
_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  0.6185  1
  K  K1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  2  0.3333  0.6667  0.2032  1
  Pd  Pd3  1  0.0000  0.0000  0.5000  1
  Br  Br4  6  0.1645  0.3289  0.3307  1
  Br  Br5  2  0.3333  0.6667  0.9588  1
]