data_Mg2SnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   134.42
_cell_angle_beta   134.42
_cell_angle_gamma   66.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnAu
_chemical_formula_sum   'Mg2 Sn1 Au1'
_cell_volume   83.68
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.13  0.0  0.3  1.0
  Sn  Sn3  1  0.0  0.0  0.6  1.0
  Au  Au0  1  0.0  0.13  0.3  1.0

data_Mg2SnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.5
_cell_angle_alpha   112.79
_cell_angle_beta   112.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnAu
_chemical_formula_sum   'Mg2 Sn1 Au1'
_cell_volume   83.68
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.3  0.17  0.17  1.0
  Sn  Sn2  1  0.6  0.6  0.6  1.0
  Au  Au3  1  0.17  0.3  0.17  1.0

Mg Mg Sn Au
Mg Mg Sn Au 0 3 o o o 0 1 o o o 0 2 o o - 1 3 o o o 1 2 o o o 2 3 o o o 