data_MnBAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBAu2
_chemical_formula_sum   'Mn1 B1 Au2'
_cell_volume   60.69
_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  0.39  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.83  0.0  0.35  1.0
  Au  Au1  1  0.83  0.0  0.42  1.0

data_MnBAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBAu2
_chemical_formula_sum   'Mn1 B1 Au2'
_cell_volume   60.69
_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  0.39  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.83  0.0  0.35  1.0
  Au  Au3  1  0.83  0.0  0.42  1.0

Mn B Au Au