data_MgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   141.82
_cell_angle_beta   126.18
_cell_angle_gamma   67.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgW
_chemical_formula_sum   'Mg2 W2'
_cell_volume   71.56
_cell_formula_units_Z   2
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  0.72  0.19  0.94  1.0
  Mg  Mg1  1  0.0  0.19  0.43  1.0
  W  W2  1  0.72  0.19  0.09  1.0
  W  W3  1  0.0  0.19  0.27  1.0

data_MgW
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.44
_cell_length_b   4.76
_cell_length_c   5.26
_cell_angle_alpha   116.91
_cell_angle_beta   109.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgW
_chemical_formula_sum   'Mg2 W2'
_cell_volume   71.56
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.39  0.75  0.39  1.0
  W  W1  2  0.45  0.09  0.45  1.0

Mg Mg W W