data_[Tb16Nd4Mg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4890]
_cell_length_b [12.1542]
_cell_length_c [11.2296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb4NdMg]
_chemical_formula_sum '[Tb16 Nd4 Mg4]'
_cell_volume [749.1756]
_cell_formula_units_Z [4]
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
[
  Tb  Tb0  4  0.0000  0.0200  0.7985  1
  Tb  Tb1  4  0.0000  0.1738  0.5221  1
  Tb  Tb2  4  0.0000  0.3191  0.8014  1
  Tb  Tb3  4  0.0000  0.4976  0.0557  1
  Nd  Nd4  4  0.0000  0.1779  0.0823  1
  Mg  Mg5  4  0.0000  0.3477  0.3066  1
]