data_[Zr6Os1Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Os  2.2000  1.3000  0.6730
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1786]
_cell_length_b [8.1786]
_cell_length_c [3.5632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Zr6OsPb2]
_chemical_formula_sum '[Zr6 Os1 Pb2]'
_cell_volume [206.4115]
_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  3  0.0000  0.3870  0.5000  1.0
  Zr  Zr1  3  0.0000  0.7529  0.0000  1.0
  Os  Os2  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  2  0.3333  0.6667  0.0000  1.0
]