data_Ba2MnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   9.13
_cell_angle_alpha   107.47
_cell_angle_beta   107.47
_cell_angle_gamma   66.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnAu
_chemical_formula_sum   'Ba2 Mn1 Au1'
_cell_volume   153.3
_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
  Ba  Ba1  1  0.39  0.0  0.28  1.0
  Ba  Ba2  1  0.71  0.0  0.24  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.05  0.0  0.26  1.0

data_Ba2MnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   8.87
_cell_angle_alpha   96.45
_cell_angle_beta   100.93
_cell_angle_gamma   113.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnAu
_chemical_formula_sum   'Ba2 Mn1 Au1'
_cell_volume   153.3
_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
  Ba  Ba0  1  0.11  0.0  0.72  1.0
  Ba  Ba1  1  0.47  0.0  0.76  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.79  0.0  0.74  1.0

Ba Ba Mn Au