data_[Li2Sm4Si2]
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 [P2_1/m]
_cell_length_a [6.2517]
_cell_length_b [4.4753]
_cell_length_c [7.2821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiSm2Si]
_chemical_formula_sum '[Li2 Sm4 Si2]'
_cell_volume [194.3778]
_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  2  0.3972  0.2500  0.2993  1.0
  Sm  Sm1  2  0.1445  0.7500  0.3993  1.0
  Sm  Sm2  2  0.2429  0.7500  0.9319  1.0
  Si  Si3  2  0.3680  0.2500  0.6907  1.0
]