data_Fe2CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   4.26
_cell_angle_alpha   99.35
_cell_angle_beta   99.35
_cell_angle_gamma   33.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoNi
_chemical_formula_sum   'Fe2 Co1 Ni1'
_cell_volume   41.62
_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
  Fe  Fe1  1  0.41  0.0  0.18  1.0
  Fe  Fe2  1  0.51  0.0  0.18  1.0
  Co  Co0  1  0.89  0.0  0.03  1.0
  Ni  Ni3  1  0.71  0.0  0.1  1.0

data_Fe2CoNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.44
_cell_length_b   4.25
_cell_length_c   4.26
_cell_angle_alpha   99.35
_cell_angle_beta   90.0
_cell_angle_gamma   106.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoNi
_chemical_formula_sum   'Fe2 Co1 Ni1'
_cell_volume   41.62
_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
  Fe  Fe0  1  0.0  0.49  0.82  1.0
  Fe  Fe1  1  0.0  0.59  0.82  1.0
  Co  Co2  1  0.0  0.11  0.97  1.0
  Ni  Ni3  1  0.0  0.29  0.9  1.0

Fe Fe Co Ni
Fe Fe Co Ni 0 1 o o o 1 3 o o o 2 3 o o o 