data_[Ni6Sn2H2]
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 [P-1]
_cell_length_a [4.5975]
_cell_length_b [5.0643]
_cell_length_c [5.3229]
_cell_angle_alpha [78.6618]
_cell_angle_beta [89.8639]
_cell_angle_gamma [65.0770]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni3SnH]
_chemical_formula_sum '[Ni6 Sn2 H2]'
_cell_volume [109.7477]
_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
[
  Ni  Ni0  2  0.2231  0.2433  0.4547  1.0
  Ni  Ni1  2  0.2249  0.2460  0.9480  1.0
  Ni  Ni2  2  0.3025  0.7524  0.7974  1.0
  Sn  Sn3  2  0.2690  0.7694  0.2890  1.0
  H  H4  2  0.0274  0.6180  0.8201  1.0
]