data_[Cs8Sr4Li4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6579]
_cell_length_b [20.5425]
_cell_length_c [15.1731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2SrLiBr5]
_chemical_formula_sum '[Cs8 Sr4 Li4 Br20]'
_cell_volume [1451.8466]
_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
[
  Cs  Cs0  4  0.0000  0.1084  0.6820  1.0
  Cs  Cs1  4  0.0000  0.1282  0.3302  1.0
  Sr  Sr2  4  0.0000  0.1970  0.0251  1.0
  Li  Li3  4  0.0000  0.4433  0.4303  1.0
  Br  Br4  4  0.0000  0.0487  0.0112  1.0
  Br  Br5  4  0.0000  0.2963  0.6596  1.0
  Br  Br6  4  0.0000  0.3169  0.3890  1.0
  Br  Br7  4  0.0000  0.3423  0.0096  1.0
  Br  Br8  4  0.0000  0.4999  0.2871  1.0
]