data_[Ca4Sm12Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2302]
_cell_length_b [5.5223]
_cell_length_c [9.2676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaSm3Cd2]
_chemical_formula_sum '[Ca4 Sm12 Cd8]'
_cell_volume [733.6830]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.1359  0.0000  0.1865  1
  Sm  Sm1  4  0.0598  0.0000  0.7157  1
  Sm  Sm2  4  0.1179  0.5000  0.5427  1
  Sm  Sm3  4  0.1901  0.5000  0.9990  1
  Cd  Cd4  4  0.0267  0.5000  0.1699  1
  Cd  Cd5  4  0.2325  0.0000  0.6032  1
]