data_[Nd8Si4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5313]
_cell_length_b [6.5185]
_cell_length_c [8.7522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd4Si2H]
_chemical_formula_sum '[Nd8 Si4 H2]'
_cell_volume [351.5901]
_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  0.4885  0.0001  0.7359  1.0
  Nd  Nd1  2  0.0680  0.2500  0.3782  1.0
  Nd  Nd2  2  0.0888  0.2500  0.9104  1.0
  Si  Si3  2  0.2341  0.7500  0.4276  1.0
  Si  Si4  2  0.2830  0.7500  0.9508  1.0
  H  H5  2  0.2481  0.2500  0.1892  1.0
]