data_[Mg2Ni10H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmmn]
_cell_length_a [5.1886]
_cell_length_b [7.4442]
_cell_length_c [4.2674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [MgNi5H4]
_chemical_formula_sum '[Mg2 Ni10 H8]'
_cell_volume [164.8263]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.7679  1
  Ni  Ni1  8  0.2482  0.3286  0.7530  1
  Ni  Ni2  2  0.0000  0.5000  0.2298  1
  H  H3  4  0.0000  0.2851  0.0455  1
  H  H4  4  0.2010  0.5000  0.5282  1
]