data_Ba2ZnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.92
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   92.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnCo
_chemical_formula_sum   'Ba2 Zn1 Co1'
_cell_volume   121.43
_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
  Ba  Ba0  1  0.76  0.96  0.21  1.0
  Ba  Ba1  1  0.78  0.96  0.82  1.0
  Zn  Zn3  1  0.84  0.0  0.01  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_Ba2ZnCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.92
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   92.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnCo
_chemical_formula_sum   'Ba2 Zn1 Co1'
_cell_volume   121.43
_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
  Ba  Ba0  1  0.76  0.96  0.21  1.0
  Ba  Ba1  1  0.78  0.96  0.82  1.0
  Zn  Zn2  1  0.84  0.0  0.01  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Ba Ba Zn Co
Ba Ba Zn Co 0 3 + + o 0 2 o + o 1 3 + + + 1 2 o + + 2 3 + o o 