data_Mg2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   4.4
_cell_angle_alpha   100.04
_cell_angle_beta   100.04
_cell_angle_gamma   33.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AuCl
_chemical_formula_sum   'Mg2 Au1 Cl1'
_cell_volume   83.96
_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  0.43  0.0  0.9  1.0
  Mg  Mg3  1  0.58  0.0  0.56  1.0
  Au  Au0  1  0.2  0.0  0.64  1.0
  Cl  Cl1  1  0.93  0.0  0.72  1.0

data_Mg2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.4
_cell_length_c   5.96
_cell_angle_alpha   100.04
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AuCl
_chemical_formula_sum   'Mg2 Au1 Cl1'
_cell_volume   83.96
_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  0.56  0.58  1.0
  Mg  Mg1  1  0.0  0.9  0.43  1.0
  Au  Au2  1  0.0  0.64  0.2  1.0
  Cl  Cl3  1  0.0  0.72  0.93  1.0

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