data_[Li4Pb4Br4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.2905]
_cell_length_b [9.7169]
_cell_length_c [7.2558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiPbBrO5]
_chemical_formula_sum '[Li4 Pb4 Br4 O20]'
_cell_volume [475.8053]
_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
[
  Li  Li0  4  0.0000  0.0138  0.7500  1
  Pb  Pb1  4  0.2500  0.2500  0.5000  1
  Br  Br2  4  0.0000  0.4817  0.7500  1
  O  O3  8  0.0011  0.3648  0.9262  1
  O  O4  8  0.2076  0.0447  0.6117  1
  O  O5  4  0.0000  0.1862  0.2500  1
]