data_MgAsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.45
_cell_length_c   3.05
_cell_angle_alpha   76.56
_cell_angle_beta   76.1
_cell_angle_gamma   27.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAsAu
_chemical_formula_sum   'Mg1 As1 Au1'
_cell_volume   56.58
_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  0.14  0.18  0.98  1.0
  As  As0  1  0.14  0.18  0.07  1.0
  Au  Au1  1  0.14  0.18  0.27  1.0

data_MgAsAu
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.05
_cell_length_b   12.16
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   MgAsAu
_chemical_formula_sum   'Mg2 As2 Au2'
_cell_volume   113.18
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.5  0.12  1.0
  As  As1  2  0.0  0.5  0.21  1.0
  Au  Au2  2  0.0  0.5  0.41  1.0

Mg As Au