data_[Nd4Al10In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6642]
_cell_length_b [6.6344]
_cell_length_c [11.3578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd2Al5In]
_chemical_formula_sum '[Nd4 Al10 In2]'
_cell_volume [351.4625]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.3368  1
  Nd  Nd1  2  0.5000  0.0000  0.6592  1
  Al  Al2  4  0.0000  0.2104  0.0741  1
  Al  Al3  4  0.5000  0.2138  0.9330  1
  Al  Al4  2  0.5000  0.0000  0.1428  1
  In  In5  2  0.0000  0.0000  0.8470  1
]