data_[Nd12Y4In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.5372]
_cell_length_b [9.5372]
_cell_length_c [9.5372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Nd3YIn3]
_chemical_formula_sum '[Nd12 Y4 In12]'
_cell_volume [867.4746]
_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  0.1713  0.8287  0.3287  1
  Nd  Nd2  4  0.1760  0.1760  0.1760  1
  Y  Y3  4  0.0757  0.5757  0.9243  1
  In  In4  12  0.0030  0.2546  0.8681  1
]