data_[La1Mg2Ni1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [P-3m1]
_cell_length_a [4.3994]
_cell_length_b [4.3994]
_cell_length_c [6.4478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LaMg2NiH8]
_chemical_formula_sum '[La1 Mg2 Ni1 H8]'
_cell_volume [108.0758]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  2  0.3333  0.6667  0.1304  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  H  H3  6  0.1662  0.3325  0.8361  1.0
  H  H4  2  0.3333  0.6667  0.4290  1.0
]