# generated using pymatgen data_Sr2Ca2Cu3BiO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62215852 _cell_length_b 6.68911646 _cell_length_c 6.68500791 _cell_angle_alpha 75.78445430 _cell_angle_beta 60.27566055 _cell_angle_gamma 60.26558480 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ca2Cu3BiO8 _chemical_formula_sum 'Sr2 Ca2 Cu3 Bi1 O8' _cell_volume 223.29921246 _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 0.00000500 0.99999700 0.99999700 1.0 Sr Sr1 1 0.49999900 0.00000500 0.99999700 1.0 Ca Ca2 1 0.00000600 0.49999000 0.50001400 1.0 Ca Ca3 1 0.49999400 0.49998900 0.50001900 1.0 Cu Cu4 1 0.99999600 0.50000400 0.99999900 1.0 Cu Cu5 1 0.50000300 0.99999900 0.49999900 1.0 Cu Cu6 1 0.00000300 0.99999800 0.49999900 1.0 Bi Bi7 1 0.50003400 0.50000300 0.00000700 1.0 O O8 1 0.49312500 0.23506100 0.27804600 1.0 O O9 1 0.24250500 0.26266900 0.75119000 1.0 O O10 1 0.22923100 0.76502700 0.27796900 1.0 O O11 1 0.00587600 0.73968200 0.74894600 1.0 O O12 1 0.99411900 0.26032200 0.25105400 1.0 O O13 1 0.77074900 0.23497000 0.72203500 1.0 O O14 1 0.75749200 0.73735600 0.24878700 1.0 O O15 1 0.50686400 0.76492800 0.72194200 1.0