data_[Sr42Co28O86]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [12.4064]
_cell_length_b [20.2741]
_cell_length_c [8.6821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr21Co14O43]
_chemical_formula_sum '[Sr42 Co28 O86]'
_cell_volume [2158.8858]
_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
[
  Sr  Sr0  8  0.0695  0.3189  0.7152  1
  Sr  Sr1  8  0.1442  0.1823  0.4288  1
  Sr  Sr2  8  0.2127  0.3189  0.1438  1
  Sr  Sr3  4  0.0000  0.1846  0.0000  1
  Sr  Sr4  4  0.0668  0.5000  0.7232  1
  Sr  Sr5  4  0.1450  0.0000  0.4311  1
  Sr  Sr6  4  0.2076  0.5000  0.1398  1
  Sr  Sr7  2  0.0000  0.0000  0.0000  1
  Co  Co8  8  0.0746  0.1017  0.7129  1
  Co  Co9  8  0.1421  0.3980  0.4313  1
  Co  Co10  8  0.2129  0.1022  0.1444  1
  Co  Co11  4  0.0000  0.4049  0.0000  1
  O  O12  8  0.0665  0.1963  0.7140  1
  O  O13  8  0.0768  0.4110  0.2282  1
  O  O14  8  0.0816  0.0841  0.2128  1
  O  O15  8  0.1353  0.0833  0.9160  1
  O  O16  8  0.1446  0.3026  0.4335  1
  O  O17  8  0.1554  0.4113  0.9234  1
  O  O18  8  0.2096  0.1977  0.1422  1
  O  O19  8  0.2099  0.4155  0.6324  1
  O  O20  8  0.2130  0.0855  0.6405  1
  O  O21  4  0.0000  0.0840  0.5000  1
  O  O22  4  0.0000  0.3088  0.0000  1
  O  O23  4  0.0000  0.4144  0.5000  1
  O  O24  2  0.0000  0.5000  0.0000  1
]