data_[Zr8Sb6H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.8728]
_cell_length_b [7.5522]
_cell_length_c [5.5928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Zr4Sb3H]
_chemical_formula_sum '[Zr8 Sb6 H2]'
_cell_volume [374.7721]
_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  0.1869  0.2275  0.0847  1
  Zr  Zr1  2  0.0000  0.1217  0.5688  1
  Zr  Zr2  2  0.0000  0.8619  0.0868  1
  Sb  Sb3  4  0.2348  0.3798  0.5844  1
  Sb  Sb4  2  0.0000  0.7393  0.5869  1
  H  H5  2  0.0000  0.1091  0.9347  1
]