data_[Er6Ru4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3707]
_cell_length_b [4.7294]
_cell_length_c [5.2283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Ru2Pb3]
_chemical_formula_sum '[Er6 Ru4 Pb6]'
_cell_volume [396.5267]
_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
[
  Er  Er0  4  0.1752  0.0000  0.5920  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  4  0.2143  0.0000  0.1146  1.0
  Pb  Pb3  4  0.1312  0.5000  0.0758  1.0
  Pb  Pb4  2  0.0000  0.5000  0.5000  1.0
]