data_[Na2Ca8Ni6H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.2644]
_cell_length_b [7.2644]
_cell_length_c [7.2644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [NaCa4(NiH4)3]
_chemical_formula_sum '[Na2 Ca8 Ni6 H24]'
_cell_volume [383.3515]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  8  0.2500  0.2500  0.2500  1.0
  Ni  Ni2  6  0.0000  0.0000  0.5000  1.0
  H  H3  12  0.0000  0.0000  0.2793  1.0
  H  H4  12  0.0000  0.2500  0.5000  1.0
]