# generated using pymatgen
data_Sr4CaCo2(SO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90494900
_cell_length_b   3.90494900
_cell_length_c   16.90471200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4CaCo2(SO3)2
_chemical_formula_sum   'Sr4 Ca1 Co2 S2 O6'
_cell_volume   257.77364263
_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  1  0.00000000  0.50000000  0.70428400  1.0
  Sr  Sr1  1  0.50000000  0.00000000  0.29571600  1.0
  Sr  Sr2  1  0.00000000  0.50000000  0.91863500  1.0
  Sr  Sr3  1  0.50000000  0.00000000  0.08136500  1.0
  Ca  Ca4  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co5  1  0.50000000  0.00000000  0.82113100  1.0
  Co  Co6  1  0.00000000  0.50000000  0.17886900  1.0
  S  S7  1  0.50000000  0.00000000  0.61197400  1.0
  S  S8  1  0.00000000  0.50000000  0.38802600  1.0
  O  O9  1  0.00000000  0.00000000  0.80262800  1.0
  O  O10  1  0.50000000  0.50000000  0.80164800  1.0
  O  O11  1  0.50000000  0.50000000  0.19835200  1.0
  O  O12  1  0.00000000  0.00000000  0.19737200  1.0
  O  O13  1  0.50000000  0.00000000  0.93522400  1.0
  O  O14  1  0.00000000  0.50000000  0.06477600  1.0