data_[Zr10Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.2591]
_cell_length_b [3.2587]
_cell_length_c [16.5189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Zr5Pb]
_chemical_formula_sum '[Zr10 Pb2]'
_cell_volume [283.1007]
_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  2  0.0000  0.0000  0.3282  1.0
  Zr  Zr1  2  0.0000  0.0000  0.6605  1.0
  Zr  Zr2  2  0.5000  0.0000  0.1184  1.0
  Zr  Zr3  2  0.5000  0.0000  0.4513  1.0
  Zr  Zr4  2  0.5000  0.0000  0.7774  1.0
  Pb  Pb5  2  0.0000  0.0000  0.9975  1.0
]