data_Zn2GaFe
_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   144.0
_cell_angle_beta   133.48
_cell_angle_gamma   60.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GaFe
_chemical_formula_sum   'Zn2 Ga1 Fe1'
_cell_volume   53.55
_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  Zn2  1  0.55  0.0  0.06  1.0
  Zn  Zn3  1  0.0  0.98  0.29  1.0
  Ga  Ga1  1  0.0  0.0  0.35  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Zn2GaFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.97
_cell_length_c   5.02
_cell_angle_alpha   113.26
_cell_angle_beta   108.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GaFe
_chemical_formula_sum   'Zn2 Ga1 Fe1'
_cell_volume   53.55
_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  0.06  0.51  1.0
  Zn  Zn1  1  0.02  0.3  0.3  1.0
  Ga  Ga2  1  0.0  0.35  0.35  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

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