data_[Nd4Ge2Sb2Pt12]
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
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5710]
_cell_length_b [8.5705]
_cell_length_c [8.9630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd2GeSbPt6]
_chemical_formula_sum '[Nd4 Ge2 Sb2 Pt12]'
_cell_volume [427.9542]
_cell_formula_units_Z [2]
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  0.0000  0.2579  0.7345  1.0
  Ge  Ge1  2  0.0000  0.0000  0.2547  1.0
  Sb  Sb2  2  0.0000  0.5000  0.2757  1.0
  Pt  Pt3  4  0.0000  0.2498  0.1049  1.0
  Pt  Pt4  4  0.2471  0.0000  0.4799  1.0
  Pt  Pt5  4  0.2483  0.5000  0.9940  1.0
]