data_Mn2BAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   130.62
_cell_angle_beta   130.62
_cell_angle_gamma   72.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BAu
_chemical_formula_sum   'Mn2 B1 Au1'
_cell_volume   47.86
_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  0.84  0.0  0.77  1.0
  Mn  Mn3  1  0.0  0.0  0.55  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.84  0.77  1.0

data_Mn2BAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   4.4
_cell_angle_alpha   114.69
_cell_angle_beta   114.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BAu
_chemical_formula_sum   'Mn2 B1 Au1'
_cell_volume   47.86
_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  0.23  0.0  0.06  1.0
  Mn  Mn1  1  0.45  0.0  0.45  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.06  0.84  0.06  1.0

Mn Mn B Au