data_[Li6Sm4Si4]
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 [10.0774]
_cell_length_b [4.6080]
_cell_length_c [6.1976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(SmSi)2]
_chemical_formula_sum '[Li6 Sm4 Si4]'
_cell_volume [281.7780]
_cell_formula_units_Z [2]
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  0.1160  0.5000  0.4316  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  Sm  Sm2  4  0.1466  0.0000  0.7678  1.0
  Si  Si3  4  0.1555  0.0000  0.2543  1.0
]