data_[Ba3Sr1Co4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7640]
_cell_length_b [5.6799]
_cell_length_c [9.8417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ba3Sr(CoO3)4]
_chemical_formula_sum '[Ba3 Sr1 Co4 O12]'
_cell_volume [266.3082]
_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  0.5000  0.6664  1
  Ba  Ba1  1  0.5000  0.0000  0.8359  1
  Ba  Ba2  1  0.5000  0.5000  0.3318  1
  Sr  Sr3  1  0.0000  0.0000  0.1672  1
  Co  Co4  2  0.2499  0.5000  0.0037  1
  Co  Co5  2  0.2502  0.0000  0.4962  1
  O  O6  2  0.0000  0.2221  0.4194  1
  O  O7  2  0.0000  0.2736  0.9321  1
  O  O8  2  0.5000  0.2203  0.5717  1
  O  O9  2  0.5000  0.2792  0.0767  1
  O  O10  1  0.0000  0.0000  0.6443  1
  O  O11  1  0.0000  0.5000  0.1528  1
  O  O12  1  0.5000  0.0000  0.3483  1
  O  O13  1  0.5000  0.5000  0.8534  1
]