data_[Sm6Mg6Ga16]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2995]
_cell_length_b [9.8172]
_cell_length_c [13.5428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm3Mg3Ga8]
_chemical_formula_sum '[Sm6 Mg6 Ga16]'
_cell_volume [571.6221]
_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  0.0000  0.0000  0.1992  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  4  0.0000  0.2115  0.0000  1.0
  Mg  Mg3  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga4  8  0.0000  0.2787  0.3573  1.0
  Ga  Ga5  8  0.0000  0.3696  0.1629  1.0
]