data_MnSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.07
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   96.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn2Au
_chemical_formula_sum   'Mn1 Sn2 Au1'
_cell_volume   86.78
_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  Mn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.59  0.03  0.58  1.0
  Sn  Sn3  1  0.61  0.03  0.42  1.0
  Au  Au0  1  0.1  0.0  0.5  1.0

data_MnSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.07
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   96.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn2Au
_chemical_formula_sum   'Mn1 Sn2 Au1'
_cell_volume   86.78
_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
  Sn  Sn1  1  0.59  0.03  0.58  1.0
  Sn  Sn2  1  0.61  0.03  0.42  1.0
  Au  Au3  1  0.1  0.0  0.5  1.0

Mn Sn Sn Au
Mn Sn Sn Au 0 1 - o - 0 1 o o - 0 2 - o o 0 2 o o o 0 0 + o o 0 3 o o - 0 3 o o o 1 2 o o o 1 3 + o o 1 3 o o o 2 3 + o o 2 3 o o o 