data_[Nd12Sm4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.6695]
_cell_length_b [9.6695]
_cell_length_c [9.6695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Nd3SmBi3]
_chemical_formula_sum '[Nd12 Sm4 Bi12]'
_cell_volume [904.0791]
_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  0.0698  0.4302  0.5698  1
  Nd  Nd1  4  0.1779  0.8221  0.3221  1
  Nd  Nd2  4  0.1785  0.1785  0.1785  1
  Sm  Sm3  4  0.0718  0.5718  0.9282  1
  Bi  Bi4  12  0.0006  0.2522  0.8736  1
]