data_[Nd6Sm8Mg2]
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 [11.5871]
_cell_length_b [7.2698]
_cell_length_c [6.3041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3Sm4Mg]
_chemical_formula_sum '[Nd6 Sm8 Mg2]'
_cell_volume [531.0360]
_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  0.2422  0.8785  0.1505  1.0
  Nd  Nd1  2  0.0000  0.8706  0.4971  1.0
  Sm  Sm2  4  0.2413  0.3721  0.1421  1.0
  Sm  Sm3  2  0.0000  0.3749  0.4863  1.0
  Sm  Sm4  2  0.0000  0.6130  0.9642  1.0
  Mg  Mg5  2  0.0000  0.1236  0.9824  1.0
]