data_[Nd4Pd1Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9096]
_cell_length_b [4.6298]
_cell_length_c [10.8258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4PdPt3]
_chemical_formula_sum '[Nd4 Pd1 Pt3]'
_cell_volume [195.9570]
_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  1  0.0000  0.0000  0.1367  1.0
  Nd  Nd1  1  0.0000  0.5000  0.8607  1.0
  Nd  Nd2  1  0.5000  0.0000  0.6377  1.0
  Nd  Nd3  1  0.5000  0.5000  0.3655  1.0
  Pd  Pd4  1  0.5000  0.5000  0.0861  1.0
  Pt  Pt5  1  0.0000  0.0000  0.4110  1.0
  Pt  Pt6  1  0.0000  0.5000  0.5880  1.0
  Pt  Pt7  1  0.5000  0.0000  0.9144  1.0
]