data_[La1Nd2Gd1Zn12Ge6]
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
  Gd  1.2000  1.8000  1.0750
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.6684]
_cell_length_b [4.0988]
_cell_length_c [13.2837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaNd2Gd(Zn2Ge)6]
_chemical_formula_sum '[La1 Nd2 Gd1 Zn12 Ge6]'
_cell_volume [417.5207]
_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  1  0.4998  0.0000  0.8328  1
  Nd  Nd1  1  0.0003  0.0000  0.3339  1
  Nd  Nd2  1  0.4994  0.0000  0.1673  1
  Gd  Gd3  1  0.0005  0.0000  0.6660  1
  Zn  Zn4  1  0.1438  0.5000  0.1450  1
  Zn  Zn5  1  0.1438  0.5000  0.8550  1
  Zn  Zn6  1  0.1891  0.0000  0.0013  1
  Zn  Zn7  1  0.2101  0.5000  0.4998  1
  Zn  Zn8  1  0.4018  0.0000  0.5935  1
  Zn  Zn9  1  0.4057  0.0000  0.4053  1
  Zn  Zn10  1  0.6449  0.5000  0.6438  1
  Zn  Zn11  1  0.6451  0.5000  0.3562  1
  Zn  Zn12  1  0.6896  0.0000  0.5014  1
  Zn  Zn13  1  0.7123  0.5000  0.0001  1
  Zn  Zn14  1  0.9047  0.0000  0.0944  1
  Zn  Zn15  1  0.9091  0.0000  0.9040  1
  Ge  Ge16  1  0.3044  0.5000  0.6897  1
  Ge  Ge17  1  0.3088  0.5000  0.3090  1
  Ge  Ge18  1  0.3816  0.5000  0.0009  1
  Ge  Ge19  1  0.8086  0.5000  0.1915  1
  Ge  Ge20  1  0.8127  0.5000  0.8070  1
  Ge  Ge21  1  0.8835  0.5000  0.5019  1
]