data_MgBi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.55
_cell_angle_alpha   106.46
_cell_angle_beta   106.46
_cell_angle_gamma   45.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2Au
_chemical_formula_sum   'Mg1 Bi2 Au1'
_cell_volume   104.89
_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  Mg3  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.96  0.0  0.35  1.0
  Bi  Bi2  1  0.05  0.0  0.94  1.0
  Au  Au0  1  0.0  0.0  0.64  1.0

data_MgBi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   5.27
_cell_length_c   5.55
_cell_angle_alpha   106.46
_cell_angle_beta   90.0
_cell_angle_gamma   112.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2Au
_chemical_formula_sum   'Mg1 Bi2 Au1'
_cell_volume   104.89
_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
  Bi  Bi1  1  0.0  0.04  0.65  1.0
  Bi  Bi2  1  0.0  0.95  0.06  1.0
  Au  Au3  1  0.0  1.0  0.36  1.0

Mg Bi Bi Au