data_[Sm16Mg16Ge16]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.2302]
_cell_length_b [11.9743]
_cell_length_c [12.4109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [SmMgGe]
_chemical_formula_sum '[Sm16 Mg16 Ge16]'
_cell_volume [1223.0950]
_cell_formula_units_Z [16]
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  16  0.1250  0.1250  0.1250  1
  Mg  Mg1  16  0.0000  0.1246  0.5000  1
  Ge  Ge2  16  0.0000  0.0000  0.3173  1
]