data_LiY2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   148.74
_cell_angle_beta   126.06
_cell_angle_gamma   63.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Cl
_chemical_formula_sum   'Li1 Y2 Cl1'
_cell_volume   113.33
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.0  0.94  0.23  1.0
  Y  Y3  1  0.75  0.0  0.29  1.0
  Cl  Cl0  1  0.0  0.0  0.51  1.0

data_LiY2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.88
_cell_length_c   6.49
_cell_angle_alpha   116.97
_cell_angle_beta   105.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Cl
_chemical_formula_sum   'Li1 Y2 Cl1'
_cell_volume   113.33
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.29  0.54  1.0
  Y  Y2  1  0.06  0.28  0.28  1.0
  Cl  Cl3  1  0.0  0.51  0.51  1.0

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