data_[Li6Er2Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7293]
_cell_length_b [4.8896]
_cell_length_c [10.9366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3ErPb6]
_chemical_formula_sum '[Li6 Er2 Pb12]'
_cell_volume [515.5730]
_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
[
  Li  Li0  2  0.2563  0.2500  0.0245  1
  Li  Li1  2  0.3324  0.7500  0.8147  1
  Li  Li2  2  0.4347  0.2500  0.5887  1
  Er  Er3  2  0.0692  0.2500  0.3914  1
  Pb  Pb4  2  0.0542  0.7500  0.9082  1
  Pb  Pb5  2  0.1605  0.2500  0.7062  1
  Pb  Pb6  2  0.1742  0.7500  0.2043  1
  Pb  Pb7  2  0.2655  0.7500  0.5204  1
  Pb  Pb8  2  0.4010  0.2500  0.3067  1
  Pb  Pb9  2  0.4798  0.7500  0.1098  1
]