data_[Cs3Sm3Cd51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.3262]
_cell_length_b [10.3262]
_cell_length_c [15.2315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CsSmCd17]
_chemical_formula_sum '[Cs3 Sm3 Cd51]'
_cell_volume [1406.5414]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.3378  1
  Sm  Sm1  3  0.0000  0.0000  0.6705  1
  Cd  Cd2  18  0.0404  0.3697  0.6670  1
  Cd  Cd3  9  0.1737  0.8263  0.4779  1
  Cd  Cd4  9  0.1759  0.3517  0.8372  1
  Cd  Cd5  9  0.1862  0.3724  0.1872  1
  Cd  Cd6  3  0.0000  0.0000  0.0902  1
  Cd  Cd7  3  0.0000  0.0000  0.8925  1
]