data_Mn2AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   131.66
_cell_angle_beta   131.66
_cell_angle_gamma   70.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlNi
_chemical_formula_sum   'Mn2 Al1 Ni1'
_cell_volume   50.73
_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  0.85  0.0  0.85  1.0
  Mn  Mn2  1  0.0  0.85  0.85  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.69  1.0

data_Mn2AlNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   125.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2AlNi
_chemical_formula_sum   'Mn4 Al2 Ni2'
_cell_volume   101.45
_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  4  0.08  0.07  0.01  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  2  0.31  0.0  0.31  1.0

Mn Mn Al Ni