data_[Ba1Na2V2Co1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5518]
_cell_length_b [5.5518]
_cell_length_c [6.9852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaNa2V2CoO8]
_chemical_formula_sum '[Ba1 Na2 V2 Co1 O8]'
_cell_volume [186.4572]
_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  0.0000  0.0000  0.0000  1
  Na  Na1  2  0.3333  0.6667  0.3440  1
  V  V2  2  0.3333  0.6667  0.7716  1
  Co  Co3  1  0.0000  0.0000  0.5000  1
  O  O4  6  0.1666  0.3332  0.6776  1
  O  O5  2  0.3333  0.6667  0.0175  1
]