data_[Sm12Ho4Mg12]
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 [7.3085]
_cell_length_b [10.7466]
_cell_length_c [10.7086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3HoMg3]
_chemical_formula_sum '[Sm12 Ho4 Mg12]'
_cell_volume [840.6827]
_cell_formula_units_Z [4]
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  0.1753  0.5000  1
  Sm  Sm1  4  0.0000  0.2255  0.0000  1
  Sm  Sm2  4  0.0355  0.5000  0.3291  1
  Ho  Ho3  4  0.2153  0.5000  0.9897  1
  Mg  Mg4  8  0.2415  0.2584  0.7509  1
  Mg  Mg5  4  0.0008  0.0000  0.2415  1
]