data_[Zr8Ge6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9430]
_cell_length_b [3.7727]
_cell_length_c [8.0128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr4Ge3H2]
_chemical_formula_sum '[Zr8 Ge6 H4]'
_cell_volume [292.9702]
_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
[
  Zr  Zr0  4  0.0956  0.0000  0.3925  1.0
  Zr  Zr1  4  0.1841  0.5000  0.0943  1.0
  Ge  Ge2  4  0.1088  0.5000  0.6874  1.0
  Ge  Ge3  2  0.0000  0.0000  0.0000  1.0
  H  H4  4  0.1926  0.5000  0.3716  1.0
]