data_[La8Sm18In22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [16.3555]
_cell_length_b [23.8446]
_cell_length_c [3.5794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La4Sm9In11]
_chemical_formula_sum '[La8 Sm18 In22]'
_cell_volume [1395.9429]
_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
[
  La  La0  8  0.1761  0.4182  0.5000  1
  Sm  Sm1  8  0.1059  0.0978  0.5000  1
  Sm  Sm2  8  0.1121  0.2785  0.5000  1
  Sm  Sm3  2  0.0000  0.5000  0.5000  1
  In  In4  8  0.2234  0.1860  0.0000  1
  In  In5  4  0.0000  0.1902  0.0000  1
  In  In6  4  0.0000  0.3789  0.0000  1
  In  In7  4  0.1956  0.0000  0.0000  1
  In  In8  2  0.0000  0.0000  0.0000  1
]