data_[Sr3Li6Pb3Br18]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3693]
_cell_length_b [7.3693]
_cell_length_c [19.6440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SrLi2PbBr6]
_chemical_formula_sum '[Sr3 Li6 Pb3 Br18]'
_cell_volume [923.8705]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.3105  1.0
  Li  Li1  3  0.0000  0.0000  0.0166  1.0
  Li  Li2  3  0.0000  0.0000  0.5105  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8138  1.0
  Br  Br4  9  0.0547  0.3392  0.5846  1.0
  Br  Br5  9  0.0550  0.7155  0.0854  1.0
]