data_[Ba2In6Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.0499]
_cell_length_b [5.0499]
_cell_length_c [10.5520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [BaIn3Co]
_chemical_formula_sum '[Ba2 In6 Co2]'
_cell_volume [269.0949]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0135  1
  In  In1  4  0.0000  0.5000  0.2702  1
  In  In2  2  0.0000  0.0000  0.5602  1
  Co  Co3  2  0.0000  0.0000  0.3223  1
]