data_[Li6La6Sm3Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7788]
_cell_length_b [4.7788]
_cell_length_c [28.1728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2La2SmSb2]
_chemical_formula_sum '[Li6 La6 Sm3 Sb6]'
_cell_volume [557.1783]
_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  6  0.0000  0.0000  0.4023  1
  La  La1  6  0.0000  0.0000  0.1311  1
  Sm  Sm2  3  0.0000  0.0000  0.0000  1
  Sb  Sb3  6  0.0000  0.0000  0.2676  1
]