data_[Ba4Na4Ni4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0951]
_cell_length_b [15.5313]
_cell_length_c [5.1739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaNaNiH4]
_chemical_formula_sum '[Ba4 Na4 Ni4 H16]'
_cell_volume [409.4342]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.1182  0.2500  1.0
  Na  Na1  4  0.0000  0.3550  0.2500  1.0
  Ni  Ni2  4  0.0000  0.2485  0.7500  1.0
  H  H3  8  0.2500  0.2500  0.0000  1.0
  H  H4  4  0.0000  0.1441  0.7500  1.0
  H  H5  4  0.0000  0.3512  0.7500  1.0
]