data_[Li6Ce6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2127]
_cell_length_b [3.8743]
_cell_length_c [12.5115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCeRh]
_chemical_formula_sum '[Li6 Ce6 Rh6]'
_cell_volume [349.5905]
_cell_formula_units_Z [6]
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  2  0.0131  0.2500  0.0821  1.0
  Li  Li1  2  0.1254  0.7500  0.5360  1.0
  Li  Li2  2  0.3792  0.2500  0.1957  1.0
  Ce  Ce3  2  0.0534  0.7500  0.2884  1.0
  Ce  Ce4  2  0.3241  0.2500  0.9225  1.0
  Ce  Ce5  2  0.4539  0.2500  0.6254  1.0
  Rh  Rh6  2  0.2360  0.7500  0.7501  1.0
  Rh  Rh7  2  0.2668  0.2500  0.4079  1.0
  Rh  Rh8  2  0.2676  0.7500  0.0697  1.0
]