data_[Sr12Li8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9653]
_cell_length_b [11.9787]
_cell_length_c [16.9272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Li2Pb3]
_chemical_formula_sum '[Sr12 Li8 Pb12]'
_cell_volume [1006.7849]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  8  0.0000  0.0900  0.6094  1
  Sr  Sr1  4  0.0000  0.3746  0.7500  1
  Li  Li2  8  0.0000  0.2131  0.0921  1
  Pb  Pb3  8  0.0000  0.3848  0.5425  1
  Pb  Pb4  4  0.0000  0.3301  0.2500  1
]