data_[K4Ti4Rh4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9103]
_cell_length_b [7.1831]
_cell_length_c [6.8648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTiRhSe5]
_chemical_formula_sum '[K4 Ti4 Rh4 Se20]'
_cell_volume [870.6994]
_cell_formula_units_Z [4]
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  0.2367  0.5000  0.2316  1
  Ti  Ti1  4  0.0000  0.2527  0.0000  1
  Rh  Rh2  4  0.1342  0.0000  0.2019  1
  Se  Se3  8  0.0834  0.2640  0.3392  1
  Se  Se4  4  0.0657  0.5000  0.8289  1
  Se  Se5  4  0.0807  0.0000  0.8578  1
  Se  Se6  4  0.2341  0.5000  0.7239  1
]