data_[Nd12Zn4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8734]
_cell_length_b [6.4850]
_cell_length_c [9.2998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd3ZnH]
_chemical_formula_sum '[Nd12 Zn4 H4]'
_cell_volume [488.4486]
_cell_formula_units_Z [4]
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  0.0685  0.0838  0.3545  1
  Nd  Nd1  4  0.2058  0.5926  0.5634  1
  Nd  Nd2  4  0.3657  0.0898  0.7683  1
  Zn  Zn3  4  0.4141  0.6499  0.9268  1
  H  H4  4  0.0804  0.2468  0.6088  1
]