data_KLi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   7.39
_cell_angle_alpha   145.29
_cell_angle_beta   143.2
_cell_angle_gamma   51.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Br
_chemical_formula_sum   'K1 Li2 Br1'
_cell_volume   137.13
_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  K1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.0  0.0  0.28  1.0
  Li  Li3  1  0.0  0.0  0.04  1.0
  Br  Br0  1  0.0  0.0  0.66  1.0

data_KLi2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.67
_cell_length_c   7.39
_cell_angle_alpha   108.4
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Br
_chemical_formula_sum   'K1 Li2 Br1'
_cell_volume   137.13
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.72  0.72  0.72  1.0
  Li  Li2  1  0.96  0.96  0.96  1.0
  Br  Br3  1  0.34  0.34  0.34  1.0

K Li Li Br