data_[Ni24Sn12H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.9417]
_cell_length_b [12.2778]
_cell_length_c [3.8538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ni6Sn3H]
_chemical_formula_sum '[Ni24 Sn12 H4]'
_cell_volume [517.7197]
_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
[
  Ni  Ni0  8  0.1644  0.2468  0.1544  1
  Ni  Ni1  8  0.1646  0.4229  0.6530  1
  Ni  Ni2  4  0.0000  0.0722  0.1530  1
  Ni  Ni3  4  0.0000  0.2504  0.6598  1
  Sn  Sn4  8  0.1713  0.1021  0.6510  1
  Sn  Sn5  4  0.0000  0.4017  0.1564  1
  H  H6  4  0.0000  0.2070  0.0993  1
]