# generated using pymatgen data_SrCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92441533 _cell_length_b 5.52051531 _cell_length_c 9.69211595 _cell_angle_alpha 89.96229321 _cell_angle_beta 94.70025655 _cell_angle_gamma 89.99433842 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCoO3 _chemical_formula_sum 'Sr4 Co4 O12' _cell_volume 262.59702971 _cell_formula_units_Z 4 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 0.52838500 0.24989600 0.65114300 1.0 Sr Sr1 1 0.47118500 0.75013100 0.34915400 1.0 Sr Sr2 1 0.01972800 0.74993400 0.65166400 1.0 Sr Sr3 1 0.97965200 0.25010400 0.34791900 1.0 Co Co4 1 0.50015100 0.00014000 0.99999500 1.0 Co Co5 1 0.00248700 0.24966900 0.99696800 1.0 Co Co6 1 0.50000900 0.49933100 0.99999200 1.0 Co Co7 1 0.99805900 0.75082700 0.00313800 1.0 O O8 1 0.18597200 0.00088900 0.10312300 1.0 O O9 1 0.68095300 0.74962900 0.10133000 1.0 O O10 1 0.69094300 0.24967800 0.09867400 1.0 O O11 1 0.48609800 0.25013800 0.39412700 1.0 O O12 1 0.81483100 0.50116700 0.89761400 1.0 O O13 1 0.31043100 0.74991400 0.90150000 1.0 O O14 1 0.18507400 0.49921800 0.10260600 1.0 O O15 1 0.51362900 0.74993500 0.60663500 1.0 O O16 1 0.81405300 0.99948400 0.89698900 1.0 O O17 1 0.31931400 0.24987900 0.89815800 1.0 O O18 1 0.01997400 0.24998400 0.60519900 1.0 O O19 1 0.97907100 0.75005300 0.39407200 1.0