data_[Na10Er2Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8688]
_cell_length_b [14.6047]
_cell_length_c [9.5864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Na5ErPb6]
_chemical_formula_sum '[Na10 Er2 Pb12]'
_cell_volume [681.6677]
_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
[
  Na  Na0  4  0.0000  0.3253  0.0000  1
  Na  Na1  4  0.0000  0.3325  0.5000  1
  Na  Na2  2  0.0000  0.0000  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  Pb  Pb4  8  0.0000  0.1640  0.2468  1
  Pb  Pb5  4  0.0000  0.5000  0.2367  1
]