data_MnAlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlNi2
_chemical_formula_sum   'Mn1 Al1 Ni2'
_cell_volume   45.7
_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  0.0  0.0  0.39  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.3  0.3  0.07  1.0
  Ni  Ni3  1  0.3  0.3  0.71  1.0

data_MnAlNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAlNi2
_chemical_formula_sum   'Mn2 Al2 Ni4'
_cell_volume   91.4
_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  0.39  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  2  0.3  0.0  0.07  1.0
  Ni  Ni3  2  0.3  0.0  0.71  1.0

Mn Al Ni Ni
Mn Al Ni Ni 0 2 - o o 0 2 o - o 0 2 o o o 0 3 - o o 0 3 o - o 0 3 o o o 0 0 + o o 0 0 o + o 0 1 o o o 1 2 o o o 1 3 o o - 1 3 o - - 1 3 - o - 2 3 o o - 3 3 + o o 3 3 o + o 