data_K2LiY
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   6.72
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   95.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiY
_chemical_formula_sum   'K2 Li1 Y1'
_cell_volume   169.55
_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  0.22  0.36  0.24  1.0
  K  K1  1  0.73  0.36  0.69  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.47  0.0  0.47  1.0

data_K2LiY
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   6.72
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   95.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiY
_chemical_formula_sum   'K2 Li1 Y1'
_cell_volume   169.55
_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  0.22  0.36  0.24  1.0
  K  K1  1  0.73  0.36  0.69  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.47  0.0  0.47  1.0

K K Li Y
K K Li Y 0 2 o o o 0 1 - o o 0 1 o o o 0 0 + o o 0 3 o o o 1 3 o o o 1 1 + o o 1 2 + o + 2 3 - o o 2 3 o o o 2 2 + o o 3 3 + o o 