data_BaV2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   33.69
_cell_angle_beta   33.69
_cell_angle_gamma   33.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Co
_chemical_formula_sum   'Ba1 V2 Co1'
_cell_volume   87.49
_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  0.66  1.0
  V  V2  1  0.0  0.0  0.52  1.0
  V  V3  1  0.0  0.0  0.8  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0

data_BaV2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.86
_cell_length_b   3.96
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   109.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaV2Co
_chemical_formula_sum   'Ba2 V4 Co2'
_cell_volume   174.97
_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  0.34  1.0
  V  V1  2  0.0  0.0  0.2  1.0
  V  V2  2  0.0  0.0  0.48  1.0
  Co  Co3  2  0.0  0.0  0.0  1.0

Ba V V Co