data_[Sm12Cd4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.4225]
_cell_length_b [13.6955]
_cell_length_c [7.1602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm3CdSe6]
_chemical_formula_sum '[Sm12 Cd4 Se24]'
_cell_volume [1120.1129]
_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
[
  Sm  Sm0  8  0.1805  0.0975  0.5160  1
  Sm  Sm1  4  0.0000  0.4012  0.6154  1
  Cd  Cd2  4  0.0000  0.2056  0.9933  1
  Se  Se3  8  0.1628  0.4634  0.3168  1
  Se  Se4  8  0.1792  0.2714  0.7854  1
  Se  Se5  4  0.0000  0.0312  0.8123  1
  Se  Se6  4  0.0000  0.2272  0.3573  1
]