data_MnSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn2Au
_chemical_formula_sum   'Mn1 Sn2 Au1'
_cell_volume   84.94
_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  0.68  0.91  0.66  1.0
  Sn  Sn3  1  0.68  0.09  0.66  1.0
  Au  Au0  1  0.36  0.0  0.0  1.0

data_MnSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   97.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn2Au
_chemical_formula_sum   'Mn1 Sn2 Au1'
_cell_volume   84.94
_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  0.66  0.68  0.09  1.0
  Sn  Sn2  1  0.66  0.68  0.91  1.0
  Au  Au3  1  0.0  0.36  0.0  1.0

Mn Sn Sn Au