data_[Li4Sm20Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1062]
_cell_length_b [11.8991]
_cell_length_c [18.9631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiSm5Sb2]
_chemical_formula_sum '[Li4 Sm20 Sb8]'
_cell_volume [926.5372]
_cell_formula_units_Z [4]
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  0.0000  0.1697  0.2500  1
  Sm  Sm1  8  0.0000  0.0542  0.1133  1
  Sm  Sm2  8  0.0000  0.3563  0.0290  1
  Sm  Sm3  4  0.0000  0.4176  0.2500  1
  Sb  Sb4  8  0.0000  0.2372  0.6477  1
]