data_LiY2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   7.32
_cell_angle_alpha   105.65
_cell_angle_beta   105.65
_cell_angle_gamma   31.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2
_chemical_formula_sum   'Li2 Y4'
_cell_volume   168.78
_cell_formula_units_Z   2
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  0.06  0.0  0.79  1.0
  Li  Li1  1  0.01  0.0  0.24  1.0
  Y  Y2  1  0.23  0.0  0.5  1.0
  Y  Y3  1  0.84  0.0  0.07  1.0
  Y  Y4  1  0.22  0.0  0.96  1.0
  Y  Y5  1  0.84  0.0  0.53  1.0

data_LiY2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.66
_cell_length_b   6.81
_cell_length_c   7.32
_cell_angle_alpha   105.65
_cell_angle_beta   90.0
_cell_angle_gamma   105.6
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiY2
_chemical_formula_sum   'Li2 Y4'
_cell_volume   168.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.47  0.73  1.0
  Y  Y1  2  0.0  0.31  0.01  1.0
  Y  Y2  2  0.0  0.31  0.55  1.0

Li Li Y Y Y Y