data_[Ba4Ca2Y2Co16O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0919]
_cell_length_b [6.4418]
_cell_length_c [10.3807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba2CaY(Co4O7)2]
_chemical_formula_sum '[Ba4 Ca2 Y2 Co16 O28]'
_cell_volume [741.6719]
_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  0.1601  0.5000  0.0195  1
  Ba  Ba1  2  0.3421  0.0000  0.5217  1
  Ca  Ca2  2  0.1675  0.5000  0.6275  1
  Y  Y3  2  0.3324  0.0000  0.1327  1
  Co  Co4  4  0.0845  0.2518  0.3110  1
  Co  Co5  4  0.4177  0.2446  0.8132  1
  Co  Co6  2  0.0041  0.0000  0.5525  1
  Co  Co7  2  0.1687  0.0000  0.8118  1
  Co  Co8  2  0.3307  0.5000  0.3135  1
  Co  Co9  2  0.4957  0.5000  0.0544  1
  O  O10  4  0.0724  0.2451  0.4999  1
  O  O11  4  0.2467  0.2571  0.2413  1
  O  O12  4  0.2525  0.2291  0.7492  1
  O  O13  4  0.4244  0.2522  0.0032  1
  O  O14  2  0.0044  0.0000  0.7469  1
  O  O15  2  0.0048  0.5000  0.2437  1
  O  O16  2  0.1601  0.0000  0.9939  1
  O  O17  2  0.3404  0.5000  0.5011  1
  O  O18  2  0.4944  0.0000  0.7483  1
  O  O19  2  0.4982  0.5000  0.2410  1
]