data_[Er3Ag3Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5102]
_cell_length_b [7.5102]
_cell_length_c [4.5556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [ErAgPb]
_chemical_formula_sum '[Er3 Ag3 Pb3]'
_cell_volume [222.5253]
_cell_formula_units_Z [3]
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  3  0.0000  0.5688  0.5000  1.0
  Ag  Ag1  3  0.0000  0.2461  0.0000  1.0
  Pb  Pb2  2  0.3333  0.6667  0.0000  1.0
  Pb  Pb3  1  0.0000  0.0000  0.5000  1.0
]