data_Mn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.93
_cell_angle_alpha   106.47
_cell_angle_beta   106.47
_cell_angle_gamma   41.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Au
_chemical_formula_sum   'Mn4 Au2'
_cell_volume   94.11
_cell_formula_units_Z   2
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  0.0  1.0
  Mn  Mn3  1  0.72  0.0  0.88  1.0
  Mn  Mn4  1  0.1  0.0  0.83  1.0
  Mn  Mn5  1  0.85  0.0  0.77  1.0
  Au  Au0  1  0.66  0.0  0.65  1.0
  Au  Au1  1  0.91  0.0  0.0  1.0

data_Mn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.01
_cell_length_c   5.93
_cell_angle_alpha   106.47
_cell_angle_beta   90.0
_cell_angle_gamma   110.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Au
_chemical_formula_sum   'Mn4 Au2'
_cell_volume   94.11
_cell_formula_units_Z   2
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  0.0  0.15  0.23  1.0
  Mn  Mn2  1  0.0  0.28  0.12  1.0
  Mn  Mn3  1  0.0  0.9  0.17  1.0
  Au  Au4  1  0.0  0.09  1.0  1.0
  Au  Au5  1  0.0  0.34  0.35  1.0

Mn Mn Mn Mn Au Au