data_[Pm6Ru1Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [6.7095]
_cell_length_b [6.7095]
_cell_length_c [10.6675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Pm6RuPb6]
_chemical_formula_sum '[Pm6 Ru1 Pb6]'
_cell_volume [415.8929]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.2386  1
  Pm  Pm1  2  0.3333  0.6667  0.0000  1
  Pm  Pm2  2  0.3333  0.6667  0.5000  1
  Ru  Ru3  1  0.0000  0.0000  0.0000  1
  Pb  Pb4  6  0.0000  0.5000  0.2540  1
]