data_[Nd4In1Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5110]
_cell_length_b [4.7210]
_cell_length_c [11.9421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4InPb3]
_chemical_formula_sum '[Nd4 In1 Pb3]'
_cell_volume [254.3212]
_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  0.8661  1.0
  Nd  Nd1  1  0.0000  0.5000  0.3667  1.0
  Nd  Nd2  1  0.5000  0.0000  0.1329  1.0
  Nd  Nd3  1  0.5000  0.5000  0.6360  1.0
  In  In4  1  0.5000  0.5000  0.9124  1.0
  Pb  Pb5  1  0.0000  0.0000  0.5948  1.0
  Pb  Pb6  1  0.0000  0.5000  0.0873  1.0
  Pb  Pb7  1  0.5000  0.0000  0.4038  1.0
]