data_Mn2InAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.94
_cell_angle_alpha   102.61
_cell_angle_beta   102.61
_cell_angle_gamma   36.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InAu
_chemical_formula_sum   'Mn2 In1 Au1'
_cell_volume   63.44
_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  0.69  0.0  0.65  1.0
  Mn  Mn3  1  0.49  0.0  0.72  1.0
  In  In1  1  0.35  0.0  0.14  1.0
  Au  Au0  1  0.94  0.0  0.5  1.0

data_Mn2InAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.7
_cell_length_c   4.94
_cell_angle_alpha   102.61
_cell_angle_beta   90.0
_cell_angle_gamma   108.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InAu
_chemical_formula_sum   'Mn2 In1 Au1'
_cell_volume   63.44
_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  0.31  0.35  1.0
  Mn  Mn1  1  0.0  0.51  0.28  1.0
  In  In2  1  0.0  0.65  0.86  1.0
  Au  Au3  1  0.0  0.06  0.5  1.0

Mn Mn In Au
Mn Mn In Au 0 1 o o o 0 2 o o + 0 2 o o o 0 3 o o o 1 2 o o + 1 2 o o o 2 2 + - o 2 3 - o o 2 3 o o o 