data_MnFe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   131.64
_cell_angle_beta   131.64
_cell_angle_gamma   70.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2Ni
_chemical_formula_sum   'Mn1 Fe2 Ni1'
_cell_volume   43.1
_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  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.49  1.0
  Fe  Fe1  1  0.0  0.76  0.75  1.0
  Ni  Ni3  1  0.76  0.0  0.75  1.0

data_MnFe2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   4.29
_cell_angle_alpha   114.18
_cell_angle_beta   114.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2Ni
_chemical_formula_sum   'Mn1 Fe2 Ni1'
_cell_volume   43.1
_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  0.0  0.0  1.0
  Fe  Fe1  1  0.01  0.76  0.01  1.0
  Fe  Fe2  1  0.51  0.0  0.51  1.0
  Ni  Ni3  1  0.25  0.0  0.01  1.0

Mn Fe Fe Ni
Mn Fe Fe Ni 0 3 - o - 0 2 o - - 0 1 o o o 0 1 o o - 1 3 - o o 1 2 o - o 