data_Ba2NbCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.33
_cell_length_b   10.33
_cell_length_c   10.33
_cell_angle_alpha   19.9
_cell_angle_beta   19.9
_cell_angle_gamma   19.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NbCo
_chemical_formula_sum   'Ba2 Nb1 Co1'
_cell_volume   111.52
_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  0.9  1.0
  Ba  Ba1  1  0.0  0.0  0.46  1.0
  Nb  Nb3  1  0.0  0.0  0.18  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_Ba2NbCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.18
_cell_length_b   3.57
_cell_length_c   10.33
_cell_angle_alpha   90.0
_cell_angle_beta   101.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2NbCo
_chemical_formula_sum   'Ba4 Nb2 Co2'
_cell_volume   223.04
_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  0.1  1.0
  Ba  Ba1  2  0.0  0.0  0.54  1.0
  Nb  Nb2  2  0.0  0.0  0.82  1.0
  Co  Co3  2  0.0  0.0  0.0  1.0

Ba Ba Nb Co