data_[Sr4Ca1Co2S2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9049]
_cell_length_b [3.9049]
_cell_length_c [16.9047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Sr4CaCo2(SO3)2]
_chemical_formula_sum '[Sr4 Ca1 Co2 S2 O6]'
_cell_volume [257.7736]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.7043  1
  Sr  Sr1  2  0.0000  0.5000  0.9186  1
  Ca  Ca2  1  0.5000  0.5000  0.5000  1
  Co  Co3  2  0.0000  0.5000  0.1789  1
  S  S4  2  0.0000  0.5000  0.3880  1
  O  O5  2  0.0000  0.0000  0.1974  1
  O  O6  2  0.0000  0.5000  0.0648  1
  O  O7  2  0.5000  0.5000  0.1984  1
]