data_Mg5Te24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.98
_cell_length_b   10.98
_cell_length_c   10.98
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Te24
_chemical_formula_sum   'Mg5 Te24'
_cell_volume   1017.83
_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
  Mg  Mg0  1  0.63  0.63  0.37  1.0
  Mg  Mg1  1  0.63  0.37  0.63  1.0
  Mg  Mg2  1  0.71  0.71  0.71  1.0
  Mg  Mg3  1  0.37  0.63  0.63  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.96  0.62  0.38  1.0
  Te  Te6  1  0.96  0.38  0.62  1.0
  Te  Te7  1  0.71  0.38  0.38  1.0
  Te  Te8  1  0.37  0.95  0.95  1.0
  Te  Te9  1  0.62  0.96  0.38  1.0
  Te  Te10  1  0.38  0.96  0.62  1.0
  Te  Te11  1  0.95  0.37  0.95  1.0
  Te  Te12  1  0.38  0.71  0.38  1.0
  Te  Te13  1  0.95  0.95  0.37  1.0
  Te  Te14  1  0.38  0.38  0.71  1.0
  Te  Te15  1  0.38  0.62  0.96  1.0
  Te  Te16  1  0.62  0.38  0.96  1.0
  Te  Te17  1  0.78  0.45  0.55  1.0
  Te  Te18  1  0.78  0.55  0.45  1.0
  Te  Te19  1  0.55  0.89  0.89  1.0
  Te  Te20  1  0.89  0.45  0.45  1.0
  Te  Te21  1  0.45  0.78  0.55  1.0
  Te  Te22  1  0.55  0.78  0.45  1.0
  Te  Te23  1  0.45  0.89  0.45  1.0
  Te  Te24  1  0.89  0.55  0.89  1.0
  Te  Te25  1  0.45  0.45  0.89  1.0
  Te  Te26  1  0.89  0.89  0.55  1.0
  Te  Te27  1  0.55  0.45  0.78  1.0
  Te  Te28  1  0.45  0.55  0.78  1.0

data_Mg5Te24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   17.92
_cell_length_b   17.92
_cell_length_c   10.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mg5Te24
_chemical_formula_sum   'Mg15 Te72'
_cell_volume   3053.49
_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
  Mg  Mg0  9  0.09  0.17  0.54  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Mg  Mg2  3  0.0  0.0  0.71  1.0
  Te  Te3  18  0.06  0.36  0.32  1.0
  Te  Te4  18  0.19  0.48  0.26  1.0
  Te  Te5  9  0.11  0.56  0.44  1.0
  Te  Te6  9  0.19  0.37  0.26  1.0
  Te  Te7  9  0.19  0.81  0.76  1.0
  Te  Te8  9  0.22  0.11  0.49  1.0

Mg Mg Mg Mg Mg Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te