data_[In2Ni6H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3352]
_cell_length_b [5.2477]
_cell_length_c [4.7864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InNi3H]
_chemical_formula_sum '[In2 Ni6 H2]'
_cell_volume [108.7508]
_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
[
  In  In0  2  0.2606  0.7500  0.6421  1.0
  Ni  Ni1  4  0.2480  0.5040  0.1519  1.0
  Ni  Ni2  2  0.2573  0.2500  0.6836  1.0
  H  H3  2  0.0538  0.2500  0.9638  1.0
]