data_[Ni6Ge2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.1718]
_cell_length_b [3.9054]
_cell_length_c [5.2220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Ni3GeH]
_chemical_formula_sum '[Ni6 Ge2 H2]'
_cell_volume [99.0318]
_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  0.1309  0.3075  0.7555  1.0
  Ni  Ni1  2  0.3078  0.8080  0.0920  1.0
  Ni  Ni2  2  0.3687  0.8069  0.5995  1.0
  Ge  Ge3  2  0.1493  0.3090  0.2935  1.0
  H  H4  2  0.4147  0.5585  0.8788  1.0
]