data_MnAlIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   153.07
_cell_angle_beta   153.07
_cell_angle_gamma   38.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlIn
_chemical_formula_sum   'Mn1 Al1 In1'
_cell_volume   52.23
_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  0.83  1.0
  Al  Al0  1  0.0  0.0  0.27  1.0
  In  In1  1  0.0  0.0  0.88  1.0

data_MnAlIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAlIn
_chemical_formula_sum   'Mn2 Al2 In2'
_cell_volume   104.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.17  1.0
  Al  Al1  2  0.0  0.0  0.73  1.0
  In  In2  2  0.0  0.0  0.12  1.0

Mn Al In
Mn Al In 0 2 o o o 0 1 o o + 1 1 + o + 1 1 o + + 1 2 o o - 