data_[Nd4Sm20Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5655]
_cell_length_b [8.2184]
_cell_length_c [10.9336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSm5Mg3]
_chemical_formula_sum '[Nd4 Sm20 Mg12]'
_cell_volume [1209.2155]
_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
[
  Nd  Nd0  4  0.1098  0.0000  0.2661  1
  Sm  Sm1  8  0.1496  0.2041  0.7297  1
  Sm  Sm2  4  0.0000  0.3304  0.0000  1
  Sm  Sm3  4  0.0138  0.5000  0.6405  1
  Sm  Sm4  4  0.2427  0.0000  0.0292  1
  Mg  Mg5  4  0.1559  0.5000  0.2094  1
  Mg  Mg6  4  0.2181  0.5000  0.4900  1
  Mg  Mg7  2  0.0000  0.0000  0.0000  1
  Mg  Mg8  2  0.0000  0.0000  0.5000  1
]