data_[Ni4Sb4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7465]
_cell_length_b [3.0705]
_cell_length_c [4.3066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiSbH]
_chemical_formula_sum '[Ni4 Sb4 H4]'
_cell_volume [165.5915]
_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  2  0.0000  0.0000  0.5000  1
  Ni  Ni1  2  0.0000  0.5000  0.0000  1
  Sb  Sb2  4  0.1665  0.5000  0.7149  1
  H  H3  4  0.0525  0.0000  0.1856  1
]