data_[Ce2Sm2Cd12]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9809]
_cell_length_b [7.0124]
_cell_length_c [11.4498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CeSmCd6]
_chemical_formula_sum '[Ce2 Sm2 Cd12]'
_cell_volume [399.9226]
_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  0.8997  1.0
  Sm  Sm1  2  0.5000  0.0000  0.6004  1.0
  Cd  Cd2  4  0.0000  0.2213  0.1627  1.0
  Cd  Cd3  4  0.5000  0.2231  0.3376  1.0
  Cd  Cd4  2  0.0000  0.0000  0.4187  1.0
  Cd  Cd5  2  0.5000  0.0000  0.0809  1.0
]