data_[K1Li1Y2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2/m]
_cell_length_a [7.0058]
_cell_length_b [8.6567]
_cell_length_c [7.1412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KLiY2Br8]
_chemical_formula_sum '[K1 Li1 Y2 Br8]'
_cell_volume [430.0364]
_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
[
  K  K0  1  0.0000  0.5000  0.0000  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Y  Y2  2  0.5000  0.2423  0.5000  1
  Br  Br3  4  0.2248  0.2184  0.1905  1
  Br  Br4  2  0.2989  0.0000  0.6657  1
  Br  Br5  2  0.3093  0.5000  0.6550  1
]