data_MgAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAu5
_chemical_formula_sum   'Mg1 Au5'
_cell_volume   107.74
_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  Mg5  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.07  0.84  0.09  1.0
  Au  Au1  1  0.07  0.99  0.0  1.0
  Au  Au2  1  0.07  0.0  0.09  1.0
  Au  Au3  1  0.07  0.01  0.0  1.0
  Au  Au4  1  0.07  0.16  0.09  1.0

data_MgAu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.18
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   108.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAu5
_chemical_formula_sum   'Mg1 Au5'
_cell_volume   107.74
_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
  Au  Au1  1  0.0  0.91  0.93  1.0
  Au  Au2  1  0.01  0.0  0.94  1.0
  Au  Au3  1  0.16  0.91  0.08  1.0
  Au  Au4  1  0.84  0.91  0.77  1.0
  Au  Au5  1  0.99  0.0  0.91  1.0

Mg Au Au Au Au Au