data_[Ba8Co16Br4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.0492]
_cell_length_b [5.8317]
_cell_length_c [16.1036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ba2Co4BrO7]
_chemical_formula_sum '[Ba8 Co16 Br4 O28]'
_cell_volume [923.8768]
_cell_formula_units_Z [4]
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  4  0.0668  0.5000  0.7038  1
  Ba  Ba1  4  0.2142  0.4952  0.1414  1
  Co  Co2  4  0.1035  0.9978  0.3080  1
  Co  Co3  4  0.2173  0.9981  0.6531  1
  Co  Co4  4  0.2500  0.2514  0.5003  1
  Co  Co5  2  0.0000  0.0016  0.5000  1
  Co  Co6  2  0.0000  0.5011  0.5000  1
  Br  Br7  4  0.1409  0.4930  0.9198  1
  O  O8  4  0.0829  0.9857  0.7312  1
  O  O9  4  0.1054  0.2458  0.5629  1
  O  O10  4  0.1055  0.7565  0.5626  1
  O  O11  4  0.1455  0.0005  0.4352  1
  O  O12  4  0.1498  0.5011  0.4374  1
  O  O13  4  0.1713  0.7336  0.2691  1
  O  O14  4  0.1728  0.2509  0.2692  1
]