data_[Sm3Er3Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7847]
_cell_length_b [4.7847]
_cell_length_c [20.0910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmErPb2]
_chemical_formula_sum '[Sm3 Er3 Pb6]'
_cell_volume [398.3207]
_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
[
  Sm  Sm0  3  0.0000  0.0000  0.6714  1
  Er  Er1  3  0.0000  0.0000  0.4937  1
  Pb  Pb2  3  0.0000  0.0000  0.0872  1
  Pb  Pb3  3  0.0000  0.0000  0.2477  1
]