data_MnGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.98
_cell_angle_alpha   100.58
_cell_angle_beta   100.58
_cell_angle_gamma   38.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaAu2
_chemical_formula_sum   'Mn1 Ga1 Au2'
_cell_volume   68.3
_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  Mn3  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  1.0  0.0  0.44  1.0
  Au  Au0  1  0.56  0.0  0.69  1.0
  Au  Au1  1  0.44  0.0  0.19  1.0

data_MnGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.75
_cell_length_c   4.98
_cell_angle_alpha   100.58
_cell_angle_beta   90.0
_cell_angle_gamma   109.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaAu2
_chemical_formula_sum   'Mn1 Ga1 Au2'
_cell_volume   68.3
_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  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.56  1.0
  Au  Au2  1  0.0  0.44  0.31  1.0
  Au  Au3  1  0.0  0.56  0.81  1.0

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