data_[Nd12Ge24Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [26.2728]
_cell_length_b [4.4664]
_cell_length_c [8.9457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3(Ge3Pt2)2]
_chemical_formula_sum '[Nd12 Ge24 Pt16]'
_cell_volume [1049.7328]
_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  4  0.0919  0.7500  0.1163  1
  Nd  Nd1  4  0.0923  0.7500  0.6325  1
  Nd  Nd2  4  0.2208  0.7500  0.8750  1
  Ge  Ge3  4  0.0012  0.7500  0.3766  1
  Ge  Ge4  4  0.0023  0.2500  0.1281  1
  Ge  Ge5  4  0.1382  0.2500  0.8734  1
  Ge  Ge6  4  0.1415  0.2500  0.3731  1
  Ge  Ge7  4  0.2142  0.7500  0.2267  1
  Ge  Ge8  4  0.2145  0.7500  0.5237  1
  Pt  Pt9  4  0.0437  0.2500  0.8725  1
  Pt  Pt10  4  0.0482  0.2500  0.3784  1
  Pt  Pt11  4  0.1872  0.2500  0.6241  1
  Pt  Pt12  4  0.1873  0.2500  0.1241  1
]