data_MnWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.03
_cell_angle_alpha   99.56
_cell_angle_beta   99.56
_cell_angle_gamma   33.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnWAu2
_chemical_formula_sum   'Mn1 W1 Au2'
_cell_volume   65.31
_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  Mn2  1  0.26  0.0  0.52  1.0
  W  W3  1  0.62  0.0  0.69  1.0
  Au  Au0  1  0.41  0.0  0.88  1.0
  Au  Au1  1  0.8  0.0  0.29  1.0

data_MnWAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.87
_cell_length_c   5.03
_cell_angle_alpha   99.56
_cell_angle_beta   90.0
_cell_angle_gamma   106.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnWAu2
_chemical_formula_sum   'Mn1 W1 Au2'
_cell_volume   65.31
_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  0.74  0.48  1.0
  W  W1  1  0.0  0.38  0.31  1.0
  Au  Au2  1  0.0  0.2  0.71  1.0
  Au  Au3  1  0.0  0.59  0.12  1.0

Mn W Au Au
Mn W Au Au 0 2 o o o 0 1 o o o 0 3 - o o 1 2 o o o 1 3 o o o 2 3 o o + 3 3 + - o 