data_[Nd8Y12In4]
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 [Imma]
_cell_length_a [5.2078]
_cell_length_b [9.2985]
_cell_length_c [15.7764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Nd2Y3In]
_chemical_formula_sum '[Nd8 Y12 In4]'
_cell_volume [763.9694]
_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  0.2500  0.6748  1.0
  Nd  Nd1  4  0.0000  0.2500  0.9737  1.0
  Y  Y2  8  0.0000  0.0466  0.1715  1.0
  Y  Y3  4  0.0000  0.0000  0.5000  1.0
  In  In4  4  0.0000  0.2500  0.3556  1.0
]