data_MgAlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   120.82
_cell_angle_beta   120.82
_cell_angle_gamma   88.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlW2
_chemical_formula_sum   'Mg1 Al1 W2'
_cell_volume   64.18
_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  0.0  0.0  0.0  1.0
  Al  Al0  1  0.23  0.0  0.62  1.0
  W  W2  1  0.0  0.23  0.62  1.0
  W  W3  1  0.0  0.0  0.23  1.0

data_MgAlW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.51
_cell_angle_alpha   119.59
_cell_angle_beta   119.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlW2
_chemical_formula_sum   'Mg1 Al1 W2'
_cell_volume   64.18
_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
  Al  Al1  1  0.62  0.39  0.39  1.0
  W  W2  1  0.23  0.23  0.23  1.0
  W  W3  1  0.39  0.62  0.39  1.0

Mg Al W W