data_MnAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlNi
_chemical_formula_sum   'Mn1 Al1 Ni1'
_cell_volume   37.82
_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  0.35  0.99  1.0
  Al  Al0  1  0.0  0.0  0.5  1.0
  Ni  Ni2  1  0.04  0.18  0.77  1.0

data_MnAlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.08
_cell_length_c   4.08
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlNi
_chemical_formula_sum   'Mn1 Al1 Ni1'
_cell_volume   37.82
_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  0.99  0.0  0.35  1.0
  Al  Al1  1  0.5  0.0  0.0  1.0
  Ni  Ni2  1  0.77  0.04  0.18  1.0

Mn Al Ni
Mn Al Ni 0 2 o o o 1 2 o o o 