data_MgSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   143.77
_cell_angle_beta   141.53
_cell_angle_gamma   53.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb2Au
_chemical_formula_sum   'Mg1 Sb2 Au1'
_cell_volume   96.68
_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  Mg1  1  0.0  0.0  0.02  1.0
  Sb  Sb2  1  1.0  0.0  0.34  1.0
  Sb  Sb3  1  0.0  0.0  0.67  1.0
  Au  Au0  1  1.0  0.0  0.14  1.0

data_MgSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.23
_cell_length_c   6.42
_cell_angle_alpha   109.23
_cell_angle_beta   108.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb2Au
_chemical_formula_sum   'Mg1 Sb2 Au1'
_cell_volume   96.68
_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  0.02  0.02  1.0
  Sb  Sb1  1  0.0  0.34  0.34  1.0
  Sb  Sb2  1  0.0  0.67  0.67  1.0
  Au  Au3  1  0.0  0.14  0.14  1.0

Mg Sb Sb Au