data_[Nd2Mg4Al2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2186]
_cell_length_b [8.5560]
_cell_length_c [7.1371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NdMg2AlGe2]
_chemical_formula_sum '[Nd2 Mg4 Al2 Ge4]'
_cell_volume [257.6133]
_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  2  0.0000  0.4190  0.4704  1
  Mg  Mg1  2  0.0000  0.1803  0.8652  1
  Mg  Mg2  2  0.5000  0.0767  0.5402  1
  Al  Al3  2  0.5000  0.3016  0.1493  1
  Ge  Ge4  2  0.0000  0.1223  0.2435  1
  Ge  Ge5  2  0.5000  0.3741  0.7770  1
]