data_[Li2Sm6In4]
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 [P-3m1]
_cell_length_a [5.3935]
_cell_length_b [5.3935]
_cell_length_c [13.2469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiSm3In2]
_chemical_formula_sum '[Li2 Sm6 In4]'
_cell_volume [333.7257]
_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  0.3333  0.6667  0.6697  1
  Sm  Sm1  2  0.0000  0.0000  0.2497  1
  Sm  Sm2  2  0.3333  0.6667  0.4179  1
  Sm  Sm3  2  0.3333  0.6667  0.9165  1
  In  In4  2  0.3333  0.6667  0.1755  1
  In  In5  1  0.0000  0.0000  0.0000  1
  In  In6  1  0.0000  0.0000  0.5000  1
]