data_MnSbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.79
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSbAu2
_chemical_formula_sum   'Mn1 Sb1 Au2'
_cell_volume   77.73
_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  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.93  1.0
  Au  Au0  1  0.75  0.89  0.49  1.0
  Au  Au1  1  0.75  0.89  0.37  1.0

data_MnSbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.79
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSbAu2
_chemical_formula_sum   'Mn1 Sb1 Au2'
_cell_volume   77.73
_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
  Sb  Sb1  1  0.0  0.0  0.93  1.0
  Au  Au2  1  0.75  0.89  0.37  1.0
  Au  Au3  1  0.75  0.89  0.49  1.0

Mn Sb Au Au
Mn Sb Au Au 0 1 o o - 2 3 o o o 