# generated using pymatgen
data_Sr2CaCu2(BiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78937800
_cell_length_b   3.78937800
_cell_length_c   31.13132200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaCu2(BiO5)2
_chemical_formula_sum   'Sr4 Ca2 Cu4 Bi4 O20'
_cell_volume   447.02665767
_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  1  0.00000000  0.00000000  0.88225000  1.0
  Sr  Sr1  1  0.00000000  0.00000000  0.11745900  1.0
  Sr  Sr2  1  0.50000000  0.50000000  0.38778700  1.0
  Sr  Sr3  1  0.00000000  0.00000000  0.99999500  1.0
  Ca  Ca4  1  0.50000000  0.50000000  0.50129600  1.0
  Ca  Ca5  1  0.50000000  0.50000000  0.61218700  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.56159000  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.44201800  1.0
  Cu  Cu8  1  0.50000000  0.50000000  0.93515500  1.0
  Cu  Cu9  1  0.50000000  0.50000000  0.06445900  1.0
  Bi  Bi10  1  0.00000000  0.00000000  0.70235700  1.0
  Bi  Bi11  1  0.00000000  0.00000000  0.29612000  1.0
  Bi  Bi12  1  0.50000000  0.50000000  0.78998900  1.0
  Bi  Bi13  1  0.50000000  0.50000000  0.20925200  1.0
  O  O14  1  0.00000000  0.50000000  0.74558500  1.0
  O  O15  1  0.00000000  0.50000000  0.25274400  1.0
  O  O16  1  0.50000000  0.00000000  0.74558500  1.0
  O  O17  1  0.50000000  0.00000000  0.25274400  1.0
  O  O18  1  0.50000000  0.00000000  0.55262200  1.0
  O  O19  1  0.50000000  0.00000000  0.45086300  1.0
  O  O20  1  0.00000000  0.50000000  0.55262200  1.0
  O  O21  1  0.00000000  0.50000000  0.45086300  1.0
  O  O22  1  0.00000000  0.00000000  0.62919600  1.0
  O  O23  1  0.00000000  0.00000000  0.37013400  1.0
  O  O24  1  0.00000000  0.00000000  0.80617800  1.0
  O  O25  1  0.00000000  0.00000000  0.19329900  1.0
  O  O26  1  0.00000000  0.50000000  0.94415600  1.0
  O  O27  1  0.00000000  0.50000000  0.05592000  1.0
  O  O28  1  0.50000000  0.00000000  0.94415600  1.0
  O  O29  1  0.50000000  0.00000000  0.05592000  1.0
  O  O30  1  0.50000000  0.50000000  0.86475600  1.0
  O  O31  1  0.50000000  0.50000000  0.13549900  1.0
  O  O32  1  0.50000000  0.50000000  0.68307900  1.0
  O  O33  1  0.50000000  0.50000000  0.31215200  1.0