data_ZnFeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   149.28
_cell_angle_beta   128.87
_cell_angle_gamma   60.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeCu2
_chemical_formula_sum   'Zn1 Fe1 Cu2'
_cell_volume   49.88
_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  0.0  0.0  0.33  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.33  0.0  0.17  1.0
  Cu  Cu1  1  0.0  0.17  0.16  1.0

data_ZnFeCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.33
_cell_length_c   5.02
_cell_angle_alpha   115.57
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeCu2
_chemical_formula_sum   'Zn1 Fe1 Cu2'
_cell_volume   49.88
_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  0.33  0.33  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.17  0.84  1.0
  Cu  Cu3  1  0.83  0.99  0.99  1.0

Zn Fe Cu Cu
Zn Fe Cu Cu 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 