data_ZnFe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   144.62
_cell_angle_beta   129.07
_cell_angle_gamma   63.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Co
_chemical_formula_sum   'Zn1 Fe2 Co1'
_cell_volume   48.15
_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  0.45  0.0  0.03  1.0
  Fe  Fe1  1  0.45  0.0  0.02  1.0
  Fe  Fe2  1  0.0  0.0  0.15  1.0
  Co  Co0  1  0.0  0.0  0.96  1.0

data_ZnFe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.1
_cell_length_c   4.77
_cell_angle_alpha   115.47
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Co
_chemical_formula_sum   'Zn1 Fe2 Co1'
_cell_volume   48.15
_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  0.0  0.03  0.59  1.0
  Fe  Fe1  1  0.0  0.02  0.57  1.0
  Fe  Fe2  1  0.0  0.15  0.15  1.0
  Co  Co3  1  0.0  0.96  0.96  1.0

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