data_[Li2Ir2Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.6863]
_cell_length_b [5.0799]
_cell_length_c [6.4854]
_cell_angle_alpha [78.7892]
_cell_angle_beta [78.3113]
_cell_angle_gamma [74.9926]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiIrRh]
_chemical_formula_sum '[Li2 Ir2 Rh2]'
_cell_volume [82.7607]
_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  2  0.1339  0.4441  0.8287  1
  Ir  Ir1  2  0.1549  0.0207  0.1702  1
  Rh  Rh2  2  0.3762  0.2598  0.4827  1
]