data_LaY2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47
_cell_length_b   10.47
_cell_length_c   10.47
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2
_chemical_formula_sum   'La8 Y16'
_cell_volume   812.59
_cell_formula_units_Z   8
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
  La  La0  1  0.4  0.4  0.4  1.0
  La  La1  1  0.82  0.82  0.4  1.0
  La  La2  1  0.82  0.4  0.82  1.0
  La  La3  1  0.4  0.82  0.82  1.0
  La  La4  1  0.12  0.12  0.12  1.0
  La  La5  1  0.69  0.69  0.12  1.0
  La  La6  1  0.69  0.12  0.69  1.0
  La  La7  1  0.12  0.69  0.69  1.0
  Y  Y8  1  0.85  0.55  0.55  1.0
  Y  Y9  1  0.55  0.85  0.55  1.0
  Y  Y10  1  0.55  0.55  0.85  1.0
  Y  Y11  1  0.85  0.85  0.85  1.0
  Y  Y12  1  0.41  0.41  0.18  1.0
  Y  Y13  1  0.41  0.18  0.41  1.0
  Y  Y14  1  0.18  0.41  0.41  1.0
  Y  Y15  1  0.63  0.41  0.41  1.0
  Y  Y16  1  0.41  0.63  0.41  1.0
  Y  Y17  1  0.41  0.41  0.63  1.0
  Y  Y18  1  0.11  0.11  0.34  1.0
  Y  Y19  1  0.11  0.34  0.11  1.0
  Y  Y20  1  0.34  0.11  0.11  1.0
  Y  Y21  1  0.88  0.11  0.11  1.0
  Y  Y22  1  0.11  0.88  0.11  1.0
  Y  Y23  1  0.11  0.11  0.88  1.0

data_LaY2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   10.47
_cell_length_b   10.47
_cell_length_c   25.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaY2
_chemical_formula_sum   'La24 Y48'
_cell_volume   2437.77
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  La  La0  9  0.05  0.52  0.83  1.0
  La  La1  9  0.19  0.38  0.99  1.0
  La  La2  3  0.0  0.0  0.6  1.0
  La  La3  3  0.0  0.0  0.88  1.0
  Y  Y4  9  0.08  0.92  0.52  1.0
  Y  Y5  9  0.08  0.15  0.82  1.0
  Y  Y6  9  0.1  0.2  0.35  1.0
  Y  Y7  9  0.15  0.08  0.67  1.0
  Y  Y8  9  0.15  0.08  0.97  1.0
  Y  Y9  3  0.0  0.0  0.15  1.0

La La La La La La La La Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y