data_[Ce3Sm2]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5527]
_cell_length_b [5.8991]
_cell_length_c [20.2803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [104.9553]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ce3Sm2]
_chemical_formula_sum '[Ce3 Sm2]'
_cell_volume [410.6362]
_cell_formula_units_Z [1]
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  1  0.3290  0.8007  0.4980  1
  Ce  Ce1  1  0.5313  0.4030  0.5545  1
  Ce  Ce2  1  0.8365  0.2208  0.4497  1
  Sm  Sm3  1  0.6853  0.6653  0.3688  1
  Sm  Sm4  1  0.8654  0.9461  0.6291  1
]