data_[Nd4In5Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6702]
_cell_length_b [4.3497]
_cell_length_c [8.8154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4In5Si2]
_chemical_formula_sum '[Nd4 In5 Si2]'
_cell_volume [293.7484]
_cell_formula_units_Z [1]
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  0.2047  0.5000  0.8552  1.0
  Nd  Nd1  2  0.2281  0.5000  0.4112  1.0
  In  In2  2  0.1363  0.0000  0.1329  1.0
  In  In3  2  0.4474  0.0000  0.6610  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Si  Si5  2  0.0766  0.0000  0.6218  1.0
]