data_[Sm16Cd4In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6437]
_cell_length_b [5.4361]
_cell_length_c [8.7070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Cd2In]
_chemical_formula_sum '[Sm16 Cd4 In2]'
_cell_volume [677.1127]
_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
[
  Sm  Sm0  4  0.0685  0.0000  0.7208  1.0
  Sm  Sm1  4  0.0921  0.5000  0.4499  1.0
  Sm  Sm2  4  0.1380  0.0000  0.1877  1.0
  Sm  Sm3  4  0.1813  0.5000  0.9497  1.0
  Cd  Cd4  4  0.2267  0.0000  0.6166  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]