data_[Sm1Mg1Cd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.5656]
_cell_length_b [6.5656]
_cell_length_c [8.5781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [SmMgCd14]
_chemical_formula_sum '[Sm1 Mg1 Cd14]'
_cell_volume [369.7727]
_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
[
  Sm  Sm0  1  0.5000  0.5000  0.5000  1
  Mg  Mg1  1  0.0000  0.0000  0.5000  1
  Cd  Cd2  8  0.2448  0.2448  0.2445  1
  Cd  Cd3  2  0.0000  0.5000  0.0000  1
  Cd  Cd4  2  0.0000  0.5000  0.5000  1
  Cd  Cd5  1  0.0000  0.0000  0.0000  1
  Cd  Cd6  1  0.5000  0.5000  0.0000  1
]