data_[Nd4Ir3Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0403]
_cell_length_b [4.2502]
_cell_length_c [11.0553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4Ir3Pt]
_chemical_formula_sum '[Nd4 Ir3 Pt1]'
_cell_volume [189.8441]
_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  0.1454  1
  Nd  Nd1  1  0.0000  0.5000  0.8532  1
  Nd  Nd2  1  0.5000  0.0000  0.6430  1
  Nd  Nd3  1  0.5000  0.5000  0.3617  1
  Ir  Ir4  1  0.0000  0.0000  0.4170  1
  Ir  Ir5  1  0.0000  0.5000  0.5798  1
  Ir  Ir6  1  0.5000  0.0000  0.9171  1
  Pt  Pt7  1  0.5000  0.5000  0.0829  1
]