data_[Zr2Ti2Ni4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0828]
_cell_length_b [3.3107]
_cell_length_c [9.8084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrTi(NiH)2]
_chemical_formula_sum '[Zr2 Ti2 Ni4 H4]'
_cell_volume [132.5815]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.8374  1
  Ti  Ti1  2  0.5000  0.0000  0.1186  1
  Ni  Ni2  2  0.0000  0.0000  0.5674  1
  Ni  Ni3  2  0.5000  0.0000  0.4167  1
  H  H4  2  0.0000  0.0000  0.1645  1
  H  H5  2  0.5000  0.0000  0.8954  1
]