data_LiY2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   143.75
_cell_angle_beta   143.75
_cell_angle_gamma   52.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Cl
_chemical_formula_sum   'Li1 Y2 Cl1'
_cell_volume   101.69
_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  0.07  0.0  0.98  1.0
  Y  Y3  1  0.0  0.0  0.96  1.0
  Cl  Cl0  1  0.0  0.07  0.98  1.0

data_LiY2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   6.64
_cell_angle_alpha   108.12
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Cl
_chemical_formula_sum   'Li1 Y2 Cl1'
_cell_volume   101.69
_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  0.02  0.0  0.08  1.0
  Y  Y2  1  0.04  0.0  0.04  1.0
  Cl  Cl3  1  0.08  0.07  0.08  1.0

Li Y Y Cl