data_[Nd4In6Fe4]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5649]
_cell_length_b [4.6357]
_cell_length_c [7.3506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2In3Fe2]
_chemical_formula_sum '[Nd4 In6 Fe4]'
_cell_volume [321.0321]
_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  0.1450  0.0000  0.7822  1
  In  In1  4  0.1381  0.5000  0.4586  1
  In  In2  2  0.0000  0.5000  0.0000  1
  Fe  Fe3  4  0.1145  0.0000  0.1692  1
]