data_[Li4Sm2In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0913]
_cell_length_b [4.8472]
_cell_length_c [9.9086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li2SmIn2]
_chemical_formula_sum '[Li4 Sm2 In4]'
_cell_volume [236.7226]
_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  0.3487  0.2500  0.7004  1.0
  Li  Li1  2  0.4534  0.7500  0.9190  1.0
  Sm  Sm2  2  0.1512  0.2500  0.3005  1.0
  In  In3  2  0.0349  0.7500  0.0876  1.0
  In  In4  2  0.2589  0.7500  0.5165  1.0
]