data_MgW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.35
_cell_angle_alpha   94.52
_cell_angle_beta   94.52
_cell_angle_gamma   32.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgW2Au
_chemical_formula_sum   'Mg1 W2 Au1'
_cell_volume   67.75
_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  Mg1  1  0.97  0.0  0.92  1.0
  W  W2  1  0.0  0.0  0.09  1.0
  W  W3  1  0.98  0.0  0.19  1.0
  Au  Au0  1  0.41  0.0  0.79  1.0

data_MgW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.86
_cell_length_c   5.35
_cell_angle_alpha   94.52
_cell_angle_beta   90.0
_cell_angle_gamma   106.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgW2Au
_chemical_formula_sum   'Mg1 W2 Au1'
_cell_volume   67.75
_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  0.03  0.08  1.0
  W  W1  1  0.0  0.02  0.81  1.0
  W  W2  1  0.0  1.0  0.91  1.0
  Au  Au3  1  0.0  0.59  0.21  1.0

Mg W W Au