data_[Nd3Sm1Mg8]
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 [P3m1]
_cell_length_a [6.1488]
_cell_length_b [6.1488]
_cell_length_c [9.9590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nd3SmMg8]
_chemical_formula_sum '[Nd3 Sm1 Mg8]'
_cell_volume [326.0807]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9349  1
  Nd  Nd1  1  0.6667  0.3333  0.0643  1
  Nd  Nd2  1  0.6667  0.3333  0.4367  1
  Sm  Sm3  1  0.0000  0.0000  0.5641  1
  Mg  Mg4  3  0.1631  0.3262  0.2506  1
  Mg  Mg5  3  0.5034  0.0069  0.7495  1
  Mg  Mg6  1  0.3333  0.6667  0.5000  1
  Mg  Mg7  1  0.3333  0.6667  1.0000  1
]