data_[Nd8Mg8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7636]
_cell_length_b [3.4260]
_cell_length_c [16.5750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdMgH]
_chemical_formula_sum '[Nd8 Mg8 H8]'
_cell_volume [497.6491]
_cell_formula_units_Z [8]
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  0.0295  0.7500  0.6307  1
  Nd  Nd1  4  0.0476  0.2500  0.1341  1
  Mg  Mg2  4  0.2420  0.2500  0.9625  1
  Mg  Mg3  4  0.2435  0.2500  0.7759  1
  H  H4  4  0.1323  0.2500  0.2624  1
  H  H5  4  0.2465  0.2500  0.6503  1
]