data_[Sm16Al4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4578]
_cell_length_b [21.4100]
_cell_length_c [6.3233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm4AlGe]
_chemical_formula_sum '[Sm16 Al4 Ge4]'
_cell_volume [738.8844]
_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  0.0000  0.2944  0.5037  1
  Sm  Sm1  4  0.0000  0.1205  0.7500  1
  Sm  Sm2  4  0.0000  0.4362  0.7500  1
  Al  Al3  4  0.0000  0.4250  0.2500  1
  Ge  Ge4  4  0.0000  0.1607  0.2500  1
]