data_[Sm10Mg82]
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
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [14.6655]
_cell_length_b [14.6655]
_cell_length_c [10.3474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sm5Mg41]
_chemical_formula_sum '[Sm10 Mg82]'
_cell_volume [2225.4737]
_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  0.0714  0.2639  0.5000  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  16  0.0611  0.2268  0.1474  1
  Mg  Mg3  16  0.0769  0.6334  0.2587  1
  Mg  Mg4  16  0.0769  0.8638  0.3103  1
  Mg  Mg5  8  0.0096  0.4025  0.0000  1
  Mg  Mg6  8  0.1221  0.7781  0.0000  1
  Mg  Mg7  8  0.1588  0.7173  0.5000  1
  Mg  Mg8  8  0.2500  0.2500  0.2500  1
  Mg  Mg9  2  0.0000  0.0000  0.5000  1
]