data_[Li4Sm12Si12]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8353]
_cell_length_b [4.3556]
_cell_length_c [14.0297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(SmSi)3]
_chemical_formula_sum '[Li4 Sm12 Si12]'
_cell_volume [620.3463]
_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  0.2462  0.0000  0.4048  1
  Sm  Sm1  4  0.0378  0.5000  0.3810  1
  Sm  Sm2  4  0.1056  0.5000  0.9243  1
  Sm  Sm3  4  0.2463  0.5000  0.2213  1
  Si  Si4  4  0.0390  0.0000  0.2258  1
  Si  Si5  4  0.1074  0.0000  0.0755  1
  Si  Si6  4  0.1179  0.0000  0.5499  1
]