data_[Nd3Gd1Zn12Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.6488]
_cell_length_b [4.0817]
_cell_length_c [13.2527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Nd3Gd(Zn2Ge)6]
_chemical_formula_sum '[Nd3 Gd1 Zn12 Ge6]'
_cell_volume [413.7504]
_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
[
  Nd  Nd0  1  0.5002  0.0000  0.1666  1
  Nd  Nd1  1  0.5003  0.0000  0.8330  1
  Nd  Nd2  1  0.9998  0.0000  0.3337  1
  Gd  Gd3  1  0.0000  0.0000  0.6667  1
  Zn  Zn4  1  0.0938  0.0000  0.9044  1
  Zn  Zn5  1  0.0945  0.0000  0.0945  1
  Zn  Zn6  1  0.2870  0.5000  0.9997  1
  Zn  Zn7  1  0.3099  0.0000  0.5009  1
  Zn  Zn8  1  0.3558  0.5000  0.6438  1
  Zn  Zn9  1  0.3561  0.5000  0.3566  1
  Zn  Zn10  1  0.5943  0.0000  0.4055  1
  Zn  Zn11  1  0.5965  0.0000  0.5946  1
  Zn  Zn12  1  0.7878  0.5000  0.5006  1
  Zn  Zn13  1  0.8106  0.0000  0.0000  1
  Zn  Zn14  1  0.8564  0.5000  0.1437  1
  Zn  Zn15  1  0.8569  0.5000  0.8557  1
  Ge  Ge16  1  0.1153  0.5000  0.5020  1
  Ge  Ge17  1  0.1897  0.5000  0.8066  1
  Ge  Ge18  1  0.1917  0.5000  0.1917  1
  Ge  Ge19  1  0.6165  0.5000  0.0000  1
  Ge  Ge20  1  0.6917  0.5000  0.3084  1
  Ge  Ge21  1  0.6954  0.5000  0.6914  1
]