data_[La2Ni2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0434]
_cell_length_b [4.8235]
_cell_length_c [6.2984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaNiH4]
_chemical_formula_sum '[La2 Ni2 H8]'
_cell_volume [116.9460]
_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
[
  La  La0  2  0.1335  0.2500  0.2631  1.0
  Ni  Ni1  2  0.3673  0.2500  0.8121  1.0
  H  H2  4  0.3147  0.0070  0.6253  1.0
  H  H3  2  0.0400  0.7500  0.1653  1.0
  H  H4  2  0.5000  0.0000  0.0000  1.0
]