data_[La36Sm3In18]
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 [R-3]
_cell_length_a [11.9881]
_cell_length_b [11.9881]
_cell_length_c [14.8023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La12SmIn6]
_chemical_formula_sum '[La36 Sm3 In18]'
_cell_volume [1842.3013]
_cell_formula_units_Z [3]
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  18  0.0466  0.8558  0.8015  1.0
  La  La1  18  0.0659  0.2234  0.4064  1.0
  Sm  Sm2  3  0.0000  0.0000  0.0000  1.0
  In  In3  18  0.0348  0.5900  0.7107  1.0
]