data_[Li3Sm9Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3625]
_cell_length_b [5.3625]
_cell_length_c [26.2593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiSm3Ir8]
_chemical_formula_sum '[Li3 Sm9 Ir24]'
_cell_volume [653.9541]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8718  1
  Sm  Sm1  3  0.0000  0.0000  0.3760  1
  Sm  Sm2  3  0.0000  0.0000  0.5047  1
  Sm  Sm3  3  0.0000  0.0000  0.9939  1
  Ir  Ir4  9  0.0005  0.5003  0.9372  1
  Ir  Ir5  9  0.0016  0.5008  0.4386  1
  Ir  Ir6  3  0.0000  0.0000  0.1881  1
  Ir  Ir7  3  0.0000  0.0000  0.6878  1
]