data_Ni3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni6 H2'
_cell_volume   76.05
_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  1  0.0  0.51  0.67  1.0
  Ni  Ni1  1  0.17  0.54  0.67  1.0
  Ni  Ni2  1  0.83  0.54  0.67  1.0
  Ni  Ni3  1  0.48  0.78  0.89  1.0
  Ni  Ni4  1  0.31  0.76  0.89  1.0
  Ni  Ni5  1  0.65  0.76  0.89  1.0
  H  H6  1  0.0  0.86  0.89  1.0
  H  H7  1  0.48  0.43  0.67  1.0

data_Ni3H
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.57
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ni3H
_chemical_formula_sum   'Ni6 H2'
_cell_volume   76.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.39  0.59  0.39  1.0
  Ni  Ni1  2  0.39  0.76  0.36  1.0
  Ni  Ni2  2  0.39  0.93  0.39  1.0
  H  H3  2  0.39  0.24  0.28  1.0

Ni Ni Ni Ni Ni Ni H H