data_[Nd3Ni9Sn1Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0162]
_cell_length_b [6.0162]
_cell_length_c [8.9913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Nd3Ni9SnGe2]
_chemical_formula_sum '[Nd3 Ni9 Sn1 Ge2]'
_cell_volume [281.8397]
_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  2  0.3333  0.6667  0.7037  1
  Nd  Nd1  1  0.0000  0.0000  0.0000  1
  Ni  Ni2  6  0.1354  0.2707  0.2697  1
  Ni  Ni3  3  0.0000  0.5000  0.0000  1
  Sn  Sn4  1  0.0000  0.0000  0.5000  1
  Ge  Ge5  2  0.3333  0.6667  0.1753  1
]