data_[Sm10Er2Pb12]
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 [C2/m]
_cell_length_a [6.0435]
_cell_length_b [14.6820]
_cell_length_c [8.5734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm5ErPb6]
_chemical_formula_sum '[Sm10 Er2 Pb12]'
_cell_volume [740.9598]
_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
[
  Sm  Sm0  4  0.0000  0.3300  0.5000  1.0
  Sm  Sm1  4  0.0000  0.3370  0.0000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.5000  1.0
  Er  Er3  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  8  0.0028  0.1648  0.2455  1.0
  Pb  Pb5  4  0.0164  0.5000  0.7467  1.0
]