data_MnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.31
_cell_length_c   2.93
_cell_angle_alpha   78.01
_cell_angle_beta   75.34
_cell_angle_gamma   26.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAu2
_chemical_formula_sum   'Mn1 Au2'
_cell_volume   51.06
_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  0.0  1.0
  Au  Au0  1  0.96  0.17  0.88  1.0
  Au  Au1  1  0.96  0.17  0.12  1.0

data_MnAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   6.31
_cell_angle_alpha   101.99
_cell_angle_beta   101.99
_cell_angle_gamma   95.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAu2
_chemical_formula_sum   'Mn1 Au2'
_cell_volume   51.06
_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
  Au  Au1  1  0.12  0.04  0.87  1.0
  Au  Au2  1  0.88  0.04  0.87  1.0

Mn Au Au