data_[Nd12Ge4Pt12]
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 [C2/m]
_cell_length_a [10.8964]
_cell_length_b [4.2376]
_cell_length_c [15.0143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3GePt3]
_chemical_formula_sum '[Nd12 Ge4 Pt12]'
_cell_volume [650.7726]
_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  0.0270  0.5000  0.3864  1
  Nd  Nd1  4  0.1045  0.5000  0.9237  1
  Nd  Nd2  4  0.2449  0.5000  0.2285  1
  Ge  Ge3  4  0.2353  0.0000  0.3958  1
  Pt  Pt4  4  0.0275  0.0000  0.2336  1
  Pt  Pt5  4  0.1228  0.0000  0.0773  1
  Pt  Pt6  4  0.1391  0.0000  0.5469  1
]