data_[Nd4Ge1Pt1I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7833]
_cell_length_b [4.2454]
_cell_length_c [8.1073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4GePtI2]
_chemical_formula_sum '[Nd4 Ge1 Pt1 I2]'
_cell_volume [256.0934]
_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  0.2349  0.5000  0.2002  1.0
  Nd  Nd1  2  0.2818  0.0000  0.8120  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
  Pt  Pt3  1  0.5000  0.5000  0.0000  1.0
  I  I4  1  0.0000  0.5000  0.5000  1.0
  I  I5  1  0.5000  0.0000  0.5000  1.0
]