data_[K2Zr2Rh2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  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 [8.8158]
_cell_length_b [3.8983]
_cell_length_c [9.7046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZrRhSe3]
_chemical_formula_sum '[K2 Zr2 Rh2 Se6]'
_cell_volume [310.9163]
_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  0.2193  0.2500  0.2461  1.0
  Zr  Zr1  2  0.3093  0.7500  0.8340  1.0
  Rh  Rh2  2  0.0908  0.2500  0.5940  1.0
  Se  Se3  2  0.1114  0.2500  0.8634  1.0
  Se  Se4  2  0.2287  0.7500  0.5407  1.0
  Se  Se5  2  0.4599  0.7500  0.1448  1.0
]