data_[Zr6H2Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9948]
_cell_length_b [5.1257]
_cell_length_c [6.3529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Zr3HPb]
_chemical_formula_sum '[Zr6 H2 Pb2]'
_cell_volume [191.6686]
_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  1  0.2204  0.0000  0.4136  1.0
  Zr  Zr1  1  0.2462  0.0000  0.9156  1.0
  Zr  Zr2  1  0.4285  0.5000  0.2283  1.0
  Zr  Zr3  1  0.7243  0.0000  0.7401  1.0
  Zr  Zr4  1  0.9256  0.5000  0.0643  1.0
  Zr  Zr5  1  0.9307  0.5000  0.5412  1.0
  H  H6  2  0.9798  0.2579  0.8179  1.0
  Pb  Pb7  1  0.4388  0.5000  0.7160  1.0
  Pb  Pb8  1  0.7164  0.0000  0.2520  1.0
]