data_ZnGaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.63
_cell_angle_alpha   100.95
_cell_angle_beta   100.95
_cell_angle_gamma   36.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaCo2
_chemical_formula_sum   'Zn1 Ga1 Co2'
_cell_volume   49.9
_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  0.0  1.0
  Ga  Ga2  1  0.61  0.0  0.27  1.0
  Co  Co0  1  0.9  0.0  0.15  1.0
  Co  Co1  1  0.32  0.0  0.39  1.0

data_ZnGaCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.29
_cell_length_c   4.63
_cell_angle_alpha   100.95
_cell_angle_beta   90.0
_cell_angle_gamma   108.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaCo2
_chemical_formula_sum   'Zn1 Ga1 Co2'
_cell_volume   49.9
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.39  0.73  1.0
  Co  Co2  1  0.0  0.1  0.85  1.0
  Co  Co3  1  0.0  0.68  0.61  1.0

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