data_[Sm2Ho4Mg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9798]
_cell_length_b [5.0468]
_cell_length_c [7.3246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(HoMg4)2]
_chemical_formula_sum '[Sm2 Ho4 Mg16]'
_cell_volume [560.1969]
_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  2  0.0000  0.5000  0.0000  1
  Ho  Ho1  4  0.2212  0.0000  0.6370  1
  Mg  Mg2  4  0.0273  0.0000  0.7180  1
  Mg  Mg3  4  0.0897  0.5000  0.4677  1
  Mg  Mg4  4  0.1419  0.0000  0.1561  1
  Mg  Mg5  4  0.1794  0.5000  0.8971  1
]