data_ZnGa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Co
_chemical_formula_sum   'Zn1 Ga2 Co1'
_cell_volume   55.25
_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  0.65  0.0  0.0  1.0
  Ga  Ga1  1  0.32  0.86  0.4  1.0
  Ga  Ga2  1  0.32  0.14  0.4  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_ZnGa2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   109.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Co
_chemical_formula_sum   'Zn1 Ga2 Co1'
_cell_volume   55.25
_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  0.65  0.0  1.0
  Ga  Ga1  1  0.4  0.32  0.14  1.0
  Ga  Ga2  1  0.4  0.32  0.86  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

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