data_Mg2SbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75
_cell_length_b   9.75
_cell_length_c   9.75
_cell_angle_alpha   18.37
_cell_angle_beta   18.37
_cell_angle_gamma   18.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SbW
_chemical_formula_sum   'Mg2 Sb1 W1'
_cell_volume   80.41
_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  0.0  0.0  0.7  1.0
  Mg  Mg1  1  0.0  0.0  0.05  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.37  1.0

data_Mg2SbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   3.11
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   100.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2SbW
_chemical_formula_sum   'Mg4 Sb2 W2'
_cell_volume   160.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.3  1.0
  Mg  Mg1  2  0.0  0.0  0.95  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.63  1.0

Mg Mg Sb W
Mg Mg Sb W 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 2 o o + 0 1 o o + 1 2 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 