data_[La4Nd5Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.9737]
_cell_length_b [3.5533]
_cell_length_c [11.8055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4Nd5Mg2]
_chemical_formula_sum '[La4 Nd5 Mg2]'
_cell_volume [375.3208]
_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
[
  La  La0  2  0.1464  0.5000  0.8844  1
  La  La1  2  0.2833  0.5000  0.4528  1
  Nd  Nd2  2  0.2049  0.0000  0.1688  1
  Nd  Nd3  2  0.4288  0.0000  0.7062  1
  Nd  Nd4  1  0.5000  0.0000  0.0000  1
  Mg  Mg5  2  0.0519  0.0000  0.6304  1
]