data_[Nd4Y8In8]
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 [Cmc2_1]
_cell_length_a [5.3901]
_cell_length_b [16.3305]
_cell_length_c [6.6055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd(YIn)2]
_chemical_formula_sum '[Nd4 Y8 In8]'
_cell_volume [581.4423]
_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  0.0000  0.4037  0.0825  1.0
  Y  Y1  4  0.0000  0.0274  0.2581  1.0
  Y  Y2  4  0.0000  0.1995  0.8567  1.0
  In  In3  4  0.0000  0.2111  0.3661  1.0
  In  In4  4  0.0000  0.3929  0.5709  1.0
]