data_Mn3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   7.51
_cell_angle_alpha   156.29
_cell_angle_beta   151.72
_cell_angle_gamma   37.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Au2
_chemical_formula_sum   'Mn3 Au2'
_cell_volume   80.59
_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
  Mn  Mn2  1  0.0  0.0  0.5  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Mn  Mn4  1  0.0  0.0  0.74  1.0
  Au  Au0  1  0.0  0.0  0.52  1.0
  Au  Au1  1  0.0  0.0  0.71  1.0

data_Mn3Au2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.67
_cell_length_c   7.51
_cell_angle_alpha   104.14
_cell_angle_beta   101.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Au2
_chemical_formula_sum   'Mn3 Au2'
_cell_volume   80.59
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.26  0.26  0.26  1.0
  Mn  Mn2  1  0.5  0.5  0.5  1.0
  Au  Au3  1  0.29  0.29  0.29  1.0
  Au  Au4  1  0.48  0.48  0.48  1.0

Mn Mn Mn Au Au