data_[In1Ni6H3]
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 [P1]
_cell_length_a [4.5482]
_cell_length_b [4.7950]
_cell_length_c [5.0085]
_cell_angle_alpha [97.6949]
_cell_angle_beta [96.9061]
_cell_angle_gamma [112.9463]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In(Ni2H)3]
_chemical_formula_sum '[In1 Ni6 H3]'
_cell_volume [97.8834]
_cell_formula_units_Z [1]
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  1  0.8916  0.2340  0.0538  1
  Ni  Ni1  1  0.0777  0.8415  0.2790  1
  Ni  Ni2  1  0.2925  0.5173  0.5076  1
  Ni  Ni3  1  0.3176  0.0924  0.7571  1
  Ni  Ni4  1  0.4599  0.6824  0.0454  1
  Ni  Ni5  1  0.7373  0.0395  0.5135  1
  Ni  Ni6  1  0.8637  0.6072  0.7179  1
  H  H7  1  0.1997  0.8495  0.9745  1
  H  H8  1  0.4938  0.4633  0.7802  1
  H  H9  1  0.6662  0.6729  0.3711  1
]