data_[Nd12Zn8Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3086]
_cell_length_b [11.4047]
_cell_length_c [14.8058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3Zn2Ge3]
_chemical_formula_sum '[Nd12 Zn8 Ge12]'
_cell_volume [727.5351]
_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
[
  Nd  Nd0  8  0.0000  0.0714  0.6124  1.0
  Nd  Nd1  4  0.0000  0.3563  0.7500  1.0
  Zn  Zn2  8  0.0000  0.2264  0.0960  1.0
  Ge  Ge3  8  0.0000  0.3782  0.5437  1.0
  Ge  Ge4  4  0.0000  0.3546  0.2500  1.0
]