data_[Li6Pd2Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.4253]
_cell_length_b [7.4253]
_cell_length_c [2.6586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Li6Pd2Rh]
_chemical_formula_sum '[Li6 Pd2 Rh1]'
_cell_volume [126.9468]
_cell_formula_units_Z [1]
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  6  0.0000  0.3309  0.5000  1.0
  Pd  Pd1  2  0.3333  0.6667  0.0000  1.0
  Rh  Rh2  1  0.0000  0.0000  0.0000  1.0
]