data_Ba2MnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   4.14
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   91.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnCo
_chemical_formula_sum   'Ba2 Mn1 Co1'
_cell_volume   111.3
_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  0.82  0.07  0.82  1.0
  Ba  Ba1  1  0.68  0.07  0.46  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.91  0.0  0.64  1.0

data_Ba2MnCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.14
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   91.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnCo
_chemical_formula_sum   'Ba2 Mn1 Co1'
_cell_volume   111.3
_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  0.68  0.07  0.46  1.0
  Ba  Ba1  1  0.82  0.07  0.82  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.91  0.0  0.64  1.0

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