data_[Nd4Ag4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.7777]
_cell_length_b [6.4750]
_cell_length_c [6.5412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [NdAgBi3]
_chemical_formula_sum '[Nd4 Ag4 Bi12]'
_cell_volume [583.5396]
_cell_formula_units_Z [4]
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  0.3130  0.0049  0.7500  1
  Ag  Ag1  4  0.1211  0.2500  0.0000  1
  Bi  Bi2  4  0.0669  0.6849  0.2500  1
  Bi  Bi3  4  0.2585  0.5113  0.7500  1
  Bi  Bi4  4  0.4986  0.2500  0.0000  1
]