data_MgMnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31
_cell_length_b   9.31
_cell_length_c   9.31
_cell_angle_alpha   17.73
_cell_angle_beta   17.73
_cell_angle_gamma   17.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnAu2
_chemical_formula_sum   'Mg1 Mn1 Au2'
_cell_volume   65.37
_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  Mg2  1  0.0  0.0  0.86  1.0
  Mn  Mn3  1  0.0  0.0  0.86  1.0
  Au  Au0  1  0.0  0.0  0.31  1.0
  Au  Au1  1  0.0  0.0  0.7  1.0

data_MgMnAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   2.87
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgMnAu2
_chemical_formula_sum   'Mg2 Mn2 Au4'
_cell_volume   130.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.14  1.0
  Mn  Mn1  2  0.0  0.0  0.14  1.0
  Au  Au2  2  0.0  0.0  0.3  1.0
  Au  Au3  2  0.0  0.0  0.69  1.0

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