data_[Pr8Nd6Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.7552]
_cell_length_b [7.3313]
_cell_length_c [6.3658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4Nd3Mg]
_chemical_formula_sum '[Pr8 Nd6 Mg2]'
_cell_volume [548.6099]
_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
[
  Pr  Pr0  4  0.2390  0.3677  0.1436  1.0
  Pr  Pr1  2  0.0000  0.3727  0.4921  1.0
  Pr  Pr2  2  0.0000  0.6159  0.9605  1.0
  Nd  Nd3  4  0.2424  0.8781  0.1507  1.0
  Nd  Nd4  2  0.0000  0.8733  0.4936  1.0
  Mg  Mg5  2  0.0000  0.1167  0.9805  1.0
]