data_[Cs1Li2Y1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4539]
_cell_length_b [7.8500]
_cell_length_c [7.9842]
_cell_angle_alpha [105.2996]
_cell_angle_beta [102.3191]
_cell_angle_gamma [117.3498]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLi2YBr6]
_chemical_formula_sum '[Cs1 Li2 Y1 Br6]'
_cell_volume [368.4693]
_cell_formula_units_Z [1]
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  1  0.8789  0.4449  0.3389  1
  Li  Li1  1  0.1381  0.0434  0.0711  1
  Li  Li2  1  0.4529  0.1656  0.6683  1
  Y  Y3  1  0.3242  0.6553  0.9829  1
  Br  Br4  1  0.2462  0.9054  0.8029  1
  Br  Br5  1  0.2813  0.3805  0.6564  1
  Br  Br6  1  0.3396  0.9506  0.3055  1
  Br  Br7  1  0.3670  0.4451  0.2032  1
  Br  Br8  1  0.7707  0.9222  0.0957  1
  Br  Br9  1  0.8627  0.4102  0.8599  1
]