data_[Zr8Sn4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2766]
_cell_length_b [3.3600]
_cell_length_c [7.3856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2SnH3]
_chemical_formula_sum '[Zr8 Sn4 H12]'
_cell_volume [310.0918]
_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
[
  Zr  Zr0  4  0.0271  0.5000  0.2462  1.0
  Zr  Zr1  4  0.1881  0.0000  0.6515  1.0
  Sn  Sn2  4  0.1492  0.0000  0.0418  1.0
  H  H3  4  0.0580  0.0000  0.4053  1.0
  H  H4  4  0.0995  0.5000  0.6511  1.0
  H  H5  4  0.1850  0.5000  0.4587  1.0
]