data_[Li6Rh2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [20.2453]
_cell_length_b [4.3203]
_cell_length_c [7.8478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Li3RhSe3]
_chemical_formula_sum '[Li6 Rh2 Se6]'
_cell_volume [686.4094]
_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
[
  Li  Li0  4  0.3705  0.0664  0.5688  1
  Li  Li1  2  0.5000  0.0000  0.4464  1
  Rh  Rh2  2  0.5000  0.0000  0.7827  1
  Se  Se3  4  0.3820  0.5616  0.3867  1
  Se  Se4  2  0.5000  0.0000  0.1164  1
]