data_ZnFe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   131.69
_cell_angle_beta   131.69
_cell_angle_gamma   70.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Co
_chemical_formula_sum   'Zn1 Fe2 Co1'
_cell_volume   47.49
_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
  Zn  Zn3  1  0.81  0.0  0.81  1.0
  Fe  Fe1  1  0.0  0.81  0.81  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.61  1.0

data_ZnFe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   4.43
_cell_angle_alpha   114.15
_cell_angle_beta   114.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Co
_chemical_formula_sum   'Zn1 Fe2 Co1'
_cell_volume   47.49
_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
  Zn  Zn0  1  0.19  0.0  0.01  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.01  0.81  0.01  1.0
  Co  Co3  1  0.39  0.0  0.39  1.0

Zn Fe Fe Co
Zn Fe Fe Co 0 2 + o + 0 3 + o o 1 2 o + + 1 3 o + o 2 3 o o - 