data_MnAlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlW2
_chemical_formula_sum   'Mn1 Al1 W2'
_cell_volume   59.27
_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
  Mn  Mn1  1  0.0  0.0  0.2  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.61  0.0  0.23  1.0
  W  W3  1  0.61  0.0  0.17  1.0

data_MnAlW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlW2
_chemical_formula_sum   'Mn1 Al1 W2'
_cell_volume   59.27
_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
  Mn  Mn0  1  0.0  0.0  0.2  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.61  0.0  0.17  1.0
  W  W3  1  0.61  0.0  0.23  1.0

Mn Al W W
Mn Al W W 0 3 - o o 0 2 - o o 0 1 o o o 1 3 - o o 2 3 o o o 