data_[Nd12Ge2Pt4Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8957]
_cell_length_b [4.2008]
_cell_length_c [8.6453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6GePt2Se3]
_chemical_formula_sum '[Nd12 Ge2 Pt4 Se6]'
_cell_volume [659.6809]
_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  0.0019  0.0000  0.2467  1.0
  Nd  Nd1  4  0.1653  0.5000  0.0923  1.0
  Nd  Nd2  4  0.1710  0.5000  0.5732  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  4  0.1671  0.0000  0.3332  1.0
  Se  Se5  4  0.1644  0.0000  0.8344  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]