data_[Nd12In20]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.2156]
_cell_length_b [8.3217]
_cell_length_c [10.6003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3In5]
_chemical_formula_sum '[Nd12 In20]'
_cell_volume [901.1352]
_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  8  0.2030  0.0000  0.0000  1.0
  Nd  Nd1  4  0.0000  0.3718  0.7500  1.0
  In  In2  8  0.0000  0.3089  0.0480  1.0
  In  In3  8  0.2134  0.2903  0.2500  1.0
  In  In4  4  0.0000  0.0116  0.2500  1.0
]