data_[Ce4Sm2In2]
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 [P2_1/m]
_cell_length_a [4.6455]
_cell_length_b [4.3498]
_cell_length_c [11.6822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2SmIn]
_chemical_formula_sum '[Ce4 Sm2 In2]'
_cell_volume [233.0387]
_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  0.0002  0.7500  0.8895  1.0
  Ce  Ce1  2  0.3856  0.2500  0.8843  1.0
  Sm  Sm2  2  0.3002  0.7500  0.6060  1.0
  In  In3  2  0.1784  0.7500  0.3238  1.0
]