data_[Sr4Li4Pb4Br20]
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 [C2/c]
_cell_length_a [9.4449]
_cell_length_b [12.5533]
_cell_length_c [10.8144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrLiPbBr5]
_chemical_formula_sum '[Sr4 Li4 Pb4 Br20]'
_cell_volume [1164.8049]
_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  4  0.0000  0.0000  0.0000  1.0
  Li  Li1  4  0.0000  0.3167  0.7500  1.0
  Pb  Pb2  4  0.0000  0.3698  0.2500  1.0
  Br  Br3  8  0.1542  0.4488  0.9381  1.0
  Br  Br4  8  0.1589  0.1917  0.6732  1.0
  Br  Br5  4  0.0000  0.1166  0.2500  1.0
]