data_[Zr12H10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4783]
_cell_length_b [9.9836]
_cell_length_c [5.4937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr6H5]
_chemical_formula_sum '[Zr12 H10]'
_cell_volume [291.1644]
_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  8  0.2493  0.1656  0.2466  1.0
  Zr  Zr1  4  0.2457  0.0000  0.7477  1.0
  H  H2  4  0.0000  0.1601  0.5000  1.0
  H  H3  4  0.0000  0.3315  0.0000  1.0
  H  H4  2  0.0000  0.5000  0.5000  1.0
]