data_[K3Cu2Rh1Cl9]
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
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.9209]
_cell_length_b [6.9209]
_cell_length_c [8.4692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Cu2RhCl9]
_chemical_formula_sum '[K3 Cu2 Rh1 Cl9]'
_cell_volume [351.3147]
_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  0.6662  1
  K  K1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  2  0.3333  0.6667  0.1525  1
  Rh  Rh3  1  0.0000  0.0000  0.5000  1
  Cl  Cl4  6  0.1638  0.8362  0.3375  1
  Cl  Cl5  3  0.0000  0.5000  0.0000  1
]