data_MgWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgWAu2
_chemical_formula_sum   'Mg1 W1 Au2'
_cell_volume   69.12
_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  Mg2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.1  0.0  0.0  1.0
  Au  Au0  1  0.55  0.01  0.4  1.0
  Au  Au1  1  0.55  0.99  0.4  1.0

data_MgWAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   104.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgWAu2
_chemical_formula_sum   'Mg1 W1 Au2'
_cell_volume   69.12
_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  0.0  1.0
  W  W1  1  -0.0  0.1  0.0  1.0
  Au  Au2  1  0.4  0.55  0.01  1.0
  Au  Au3  1  0.4  0.55  0.99  1.0

Mg W Au Au
Mg W Au Au 0 1 o o o 2 3 o - o 