data_Mn2NbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.37
_cell_angle_alpha   113.63
_cell_angle_beta   113.63
_cell_angle_gamma   36.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbAu
_chemical_formula_sum   'Mn2 Nb1 Au1'
_cell_volume   57.97
_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  Mn1  1  0.16  0.0  0.01  1.0
  Mn  Mn2  1  0.19  0.0  0.98  1.0
  Nb  Nb3  1  0.86  0.0  0.1  1.0
  Au  Au0  1  0.52  0.0  0.85  1.0

data_Mn2NbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.37
_cell_length_c   4.95
_cell_angle_alpha   113.63
_cell_angle_beta   108.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbAu
_chemical_formula_sum   'Mn2 Nb1 Au1'
_cell_volume   57.97
_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  0.01  0.16  1.0
  Mn  Mn1  1  0.0  0.98  0.19  1.0
  Nb  Nb2  1  0.0  0.1  0.86  1.0
  Au  Au3  1  0.0  0.85  0.52  1.0

Mn Mn Nb Au
Mn Mn Nb Au 0 1 o o - 0 2 - o o 1 3 o o o 2 3 o o - 