data_[Nd2Mg2Ni8H8]
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
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [5.0619]
_cell_length_b [5.4748]
_cell_length_c [7.3404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NdMg(NiH)4]
_chemical_formula_sum '[Nd2 Mg2 Ni8 H8]'
_cell_volume [203.4203]
_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  2  0.0000  0.2981  0.0020  1
  Mg  Mg1  2  0.0000  0.8180  0.2231  1
  Ni  Ni2  4  0.2437  0.2301  0.3792  1
  Ni  Ni3  2  0.0000  0.4488  0.6222  1
  Ni  Ni4  2  0.0000  0.9929  0.6037  1
  H  H5  4  0.2461  0.4919  0.2579  1
  H  H6  2  0.0000  0.7207  0.5097  1
  H  H7  2  0.0000  0.9399  0.8253  1
]