data_[Nd12Y24In4]
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 [10.8446]
_cell_length_b [19.3425]
_cell_length_c [6.2488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd3Y6In]
_chemical_formula_sum '[Nd12 Y24 In4]'
_cell_volume [1310.7480]
_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  0.1641  0.1155  0.9241  1
  Nd  Nd1  4  0.0000  0.3934  0.5634  1
  Y  Y2  8  0.1649  0.4564  0.0481  1
  Y  Y3  8  0.2392  0.2016  0.3803  1
  Y  Y4  4  0.0000  0.0614  0.4190  1
  Y  Y5  4  0.0000  0.2799  0.1442  1
  In  In6  4  0.0000  0.2310  0.6537  1
]