data_[Ce2Sm12In10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1084]
_cell_length_b [8.8287]
_cell_length_c [15.4357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CeSm6In5]
_chemical_formula_sum '[Ce2 Sm12 In10]'
_cell_volume [696.1586]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  8  0.0000  0.2585  0.1700  1.0
  Sm  Sm2  4  0.0000  0.2344  0.5000  1.0
  In  In3  4  0.0000  0.0000  0.3279  1.0
  In  In4  4  0.0000  0.5000  0.3456  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]