data_Y24Mg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.62
_cell_length_b   10.62
_cell_length_c   10.62
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y24Mg5
_chemical_formula_sum   'Y24 Mg5'
_cell_volume   922.79
_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
  Y  Y5  1  0.13  0.87  0.43  1.0
  Y  Y6  1  0.87  0.13  0.43  1.0
  Y  Y7  1  0.13  0.13  0.83  1.0
  Y  Y8  1  0.01  0.01  0.7  1.0
  Y  Y9  1  0.13  0.83  0.13  1.0
  Y  Y10  1  0.01  0.7  0.01  1.0
  Y  Y11  1  0.87  0.43  0.13  1.0
  Y  Y12  1  0.13  0.43  0.87  1.0
  Y  Y13  1  0.43  0.87  0.13  1.0
  Y  Y14  1  0.43  0.13  0.87  1.0
  Y  Y15  1  0.7  0.01  0.01  1.0
  Y  Y16  1  0.83  0.13  0.13  1.0
  Y  Y17  1  0.35  0.65  0.93  1.0
  Y  Y18  1  0.65  0.35  0.93  1.0
  Y  Y19  1  0.48  0.48  0.21  1.0
  Y  Y20  1  0.65  0.65  0.34  1.0
  Y  Y21  1  0.48  0.21  0.48  1.0
  Y  Y22  1  0.65  0.34  0.65  1.0
  Y  Y23  1  0.65  0.93  0.35  1.0
  Y  Y24  1  0.35  0.93  0.65  1.0
  Y  Y25  1  0.93  0.65  0.35  1.0
  Y  Y26  1  0.93  0.35  0.65  1.0
  Y  Y27  1  0.34  0.65  0.65  1.0
  Y  Y28  1  0.21  0.48  0.48  1.0
  Mg  Mg0  1  0.15  0.85  0.15  1.0
  Mg  Mg1  1  0.85  0.15  0.15  1.0
  Mg  Mg2  1  0.15  0.15  0.85  1.0
  Mg  Mg3  1  0.98  0.98  0.98  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0

data_Y24Mg5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   17.35
_cell_length_b   17.35
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y24Mg5
_chemical_formula_sum   'Y72 Mg15'
_cell_volume   2768.36
_cell_formula_units_Z   3
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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Y  Y0  18  0.01  0.29  0.64  1.0
  Y  Y1  18  0.06  0.38  0.81  1.0
  Y  Y2  9  0.09  0.18  0.39  1.0
  Y  Y3  9  0.1  0.2  0.03  1.0
  Y  Y4  9  0.1  0.21  0.9  1.0
  Y  Y5  9  0.1  0.21  0.55  1.0
  Mg  Mg6  9  0.1  0.2  0.05  1.0
  Mg  Mg7  3  0.0  0.0  0.0  1.0
  Mg  Mg8  3  0.0  0.0  0.98  1.0

Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Mg Mg Mg Mg Mg