data_[Nd14In6]
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 [C2/m]
_cell_length_a [17.7204]
_cell_length_b [5.3420]
_cell_length_c [6.9881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd7In3]
_chemical_formula_sum '[Nd14 In6]'
_cell_volume [627.3428]
_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  4  0.0949  0.5000  0.8667  1
  Nd  Nd1  4  0.1289  0.5000  0.4022  1
  Nd  Nd2  4  0.1962  0.0000  0.1836  1
  Nd  Nd3  2  0.0000  0.0000  0.5000  1
  In  In4  4  0.1948  0.0000  0.7014  1
  In  In5  2  0.0000  0.0000  0.0000  1
]