data_[K2Nb2Rh2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5280]
_cell_length_b [3.7009]
_cell_length_c [9.9893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNbRhSe3]
_chemical_formula_sum '[K2 Nb2 Rh2 Se6]'
_cell_volume [289.7954]
_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  0.2510  0.2500  0.2739  1.0
  Nb  Nb1  2  0.2906  0.7500  0.8332  1.0
  Rh  Rh2  2  0.0853  0.2500  0.6227  1.0
  Se  Se3  2  0.0990  0.2500  0.8771  1.0
  Se  Se4  2  0.2380  0.7500  0.5602  1.0
  Se  Se5  2  0.4615  0.7500  0.1299  1.0
]