data_Mn2BiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.65
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BiAu
_chemical_formula_sum   'Mn2 Bi1 Au1'
_cell_volume   77.93
_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  0.56  0.83  0.13  1.0
  Mn  Mn3  1  0.62  0.83  0.4  1.0
  Bi  Bi1  1  0.96  0.0  0.27  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Mn2BiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.65
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BiAu
_chemical_formula_sum   'Mn2 Bi1 Au1'
_cell_volume   77.93
_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  0.56  0.83  0.13  1.0
  Mn  Mn1  1  0.62  0.83  0.4  1.0
  Bi  Bi2  1  0.96  0.0  0.27  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Mn Mn Bi Au
Mn Mn Bi Au 0 3 + + o 0 2 o + o 0 1 o o o 1 2 o + o 2 3 + o o 