data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg8
_cell_volume   186.97
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.86  0.43  0.0  1.0
  Mg  Mg2  1  0.86  0.29  0.0  1.0
  Mg  Mg3  1  0.0  0.86  0.43  1.0
  Mg  Mg4  1  0.43  0.0  0.86  1.0
  Mg  Mg5  1  0.29  0.0  0.86  1.0
  Mg  Mg6  1  0.86  0.86  0.86  1.0
  Mg  Mg7  1  0.0  0.86  0.29  1.0

data_Mg
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.09
_cell_length_b   8.09
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg24
_cell_volume   560.92
_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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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  0.1  0.76  0.76  1.0
  Mg  Mg1  9  0.14  0.72  0.72  1.0
  Mg  Mg2  3  0.0  0.0  0.0  1.0
  Mg  Mg3  3  0.0  0.0  0.86  1.0

Mg Mg Mg Mg Mg Mg Mg Mg
Mg Mg Mg Mg Mg Mg Mg Mg 0 6 - - - 1 2 o o o 3 7 o o o 4 5 o o o 