data_[Sm16Mg6In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7092]
_cell_length_b [8.6943]
_cell_length_c [6.5098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Mg3In2]
_chemical_formula_sum '[Sm16 Mg6 In4]'
_cell_volume [825.6905]
_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  8  0.1153  0.3075  0.4113  1
  Sm  Sm1  4  0.0899  0.5000  0.8858  1
  Sm  Sm2  4  0.1895  0.0000  0.8237  1
  Mg  Mg3  4  0.0000  0.1641  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  In  In5  4  0.2172  0.0000  0.3176  1
]