data_Ba2VCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47
_cell_length_b   10.47
_cell_length_c   10.47
_cell_angle_alpha   161.56
_cell_angle_beta   161.56
_cell_angle_gamma   26.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VCo2
_chemical_formula_sum   'Ba2 V1 Co2'
_cell_volume   114.67
_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  0.0  0.0  0.63  1.0
  Ba  Ba1  1  0.0  0.0  0.76  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.68  0.1  1.0
  Co  Co3  1  0.68  0.0  0.1  1.0

data_Ba2VCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2VCo2
_chemical_formula_sum   'Ba4 V2 Co4'
_cell_volume   229.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.24  1.0
  Ba  Ba1  2  0.0  0.0  0.37  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Co  Co3  4  0.34  0.34  0.58  1.0

Ba Ba V Co Co
Ba Ba V Co Co 0 1 o o o 1 2 o o + 3 4 - + o 