data_[Nd8Sm3Mg1]
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 [Pm]
_cell_length_a [9.7751]
_cell_length_b [3.6841]
_cell_length_c [12.1376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Nd8Sm3Mg]
_chemical_formula_sum '[Nd8 Sm3 Mg1]'
_cell_volume [408.6712]
_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  0.0793  0.5000  0.3993  1
  Nd  Nd1  1  0.1188  0.5000  0.1251  1
  Nd  Nd2  1  0.3898  0.0000  0.3696  1
  Nd  Nd3  1  0.4290  0.0000  0.0942  1
  Nd  Nd4  1  0.5740  0.5000  0.9030  1
  Nd  Nd5  1  0.6218  0.5000  0.6262  1
  Nd  Nd6  1  0.8781  0.0000  0.8703  1
  Nd  Nd7  1  0.9175  0.0000  0.5809  1
  Sm  Sm8  1  0.1771  0.5000  0.8416  1
  Sm  Sm9  1  0.3172  0.0000  0.6514  1
  Sm  Sm10  1  0.8141  0.0000  0.1619  1
  Mg  Mg11  1  0.6798  0.5000  0.3426  1
]