data_[Zr10H1N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6428]
_cell_length_b [5.6448]
_cell_length_c [8.6391]
_cell_angle_alpha [71.3416]
_cell_angle_beta [71.3133]
_cell_angle_gamma [80.1198]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr10HN8]
_chemical_formula_sum '[Zr10 H1 N8]'
_cell_volume [246.2352]
_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
[
  Zr  Zr0  2  0.0493  0.2618  0.1545  1.0
  Zr  Zr1  2  0.1416  0.7553  0.4469  1.0
  Zr  Zr2  2  0.2492  0.2485  0.7497  1.0
  Zr  Zr3  2  0.3627  0.7448  0.0526  1.0
  Zr  Zr4  2  0.4525  0.2426  0.3459  1.0
  H  H5  1  0.5000  0.5000  0.5000  1.0
  N  N6  2  0.1017  0.4999  0.2998  1.0
  N  N7  2  0.1981  0.9990  0.5999  1.0
  N  N8  2  0.2988  0.5009  0.9015  1.0
  N  N9  2  0.3992  0.0025  0.1989  1.0
]