data_[Nd8Sm6Mg2]
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 [Pmn2_1]
_cell_length_a [11.6265]
_cell_length_b [7.2520]
_cell_length_c [6.3283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4Sm3Mg]
_chemical_formula_sum '[Nd8 Sm6 Mg2]'
_cell_volume [533.5744]
_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
[
  Nd  Nd0  4  0.2394  0.3681  0.1429  1.0
  Nd  Nd1  2  0.0000  0.3723  0.4924  1.0
  Nd  Nd2  2  0.0000  0.6184  0.9615  1.0
  Sm  Sm3  4  0.2426  0.8786  0.1513  1.0
  Sm  Sm4  2  0.0000  0.8728  0.4926  1.0
  Mg  Mg5  2  0.0000  0.1160  0.9803  1.0
]