data_MgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   17.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgW2
_chemical_formula_sum   'Mg8 W16'
_cell_volume   439.52
_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  0.35  1.0
  Mg  Mg1  1  0.0  0.0  0.1  1.0
  Mg  Mg2  1  0.0  0.0  0.62  1.0
  Mg  Mg3  1  0.0  0.0  0.82  1.0
  Mg  Mg4  1  0.0  0.11  0.99  1.0
  Mg  Mg5  1  0.7  0.56  0.45  1.0
  Mg  Mg6  1  0.7  0.56  0.71  1.0
  Mg  Mg7  1  0.0  0.11  0.73  1.0
  W  W8  1  0.0  0.11  0.9  1.0
  W  W9  1  0.7  0.56  0.55  1.0
  W  W10  1  0.7  0.56  0.18  1.0
  W  W11  1  0.0  0.11  0.27  1.0
  W  W12  1  0.35  0.34  0.72  1.0
  W  W13  1  0.7  0.0  0.72  1.0
  W  W14  1  0.65  0.34  0.72  1.0
  W  W15  1  0.35  0.34  0.0  1.0
  W  W16  1  0.7  0.0  0.0  1.0
  W  W17  1  0.65  0.34  0.0  1.0
  W  W18  1  0.63  0.91  0.08  1.0
  W  W19  1  0.0  0.53  0.08  1.0
  W  W20  1  0.37  0.91  0.08  1.0
  W  W21  1  0.07  0.76  0.36  1.0
  W  W22  1  0.7  0.14  0.36  1.0
  W  W23  1  0.32  0.76  0.36  1.0

data_MgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   17.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgW2
_chemical_formula_sum   'Mg8 W16'
_cell_volume   439.52
_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  0.11  0.73  1.0
  Mg  Mg1  1  -0.0  0.11  0.99  1.0
  Mg  Mg2  1  0.0  0.0  0.1  1.0
  Mg  Mg3  1  0.0  0.0  0.35  1.0
  Mg  Mg4  1  0.0  0.0  0.62  1.0
  Mg  Mg5  1  0.0  0.0  0.82  1.0
  Mg  Mg6  1  0.7  0.56  0.45  1.0
  Mg  Mg7  1  0.7  0.56  0.71  1.0
  W  W8  1  -0.0  0.11  0.27  1.0
  W  W9  1  -0.0  0.11  0.9  1.0
  W  W10  1  -0.0  0.53  0.08  1.0
  W  W11  1  0.07  0.76  0.36  1.0
  W  W12  1  0.32  0.76  0.36  1.0
  W  W13  1  0.35  0.34  0.0  1.0
  W  W14  1  0.35  0.34  0.72  1.0
  W  W15  1  0.37  0.91  0.08  1.0
  W  W16  1  0.63  0.91  0.08  1.0
  W  W17  1  0.65  0.34  0.0  1.0
  W  W18  1  0.65  0.34  0.72  1.0
  W  W19  1  0.7  0.0  0.0  1.0
  W  W20  1  0.7  0.0  0.72  1.0
  W  W21  1  0.7  0.14  0.36  1.0
  W  W22  1  0.7  0.56  0.18  1.0
  W  W23  1  0.7  0.56  0.55  1.0

Mg Mg Mg Mg Mg Mg Mg Mg W W W W W W W W W W W W W W W W
Mg Mg Mg Mg Mg Mg Mg Mg W W W W W W W W W W W W W W W W 0 11 o o o 0 21 o - o 0 22 - o o 1 18 - - o 1 4 o o - 1 10 - - o 1 19 o - o 2 13 - o o 2 7 o o o 2 12 o o o 3 7 o o o 3 8 o o o 4 16 - o + 4 8 o o o 4 15 o o + 5 9 o o o 6 14 o o o 6 12 o o o 7 13 - o o 7 12 o o o 10 18 o o o 10 19 + o o 11 22 - o o 12 14 o o o 15 17 o o o 16 18 o - o 16 17 o o o 17 19 + o o 18 20 o o o 19 20 o o o 21 23 o o o 22 23 o - o 