# generated using pymatgen data_SrCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50511573 _cell_length_b 5.50511573 _cell_length_c 13.53380400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999681 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCrO3 _chemical_formula_sum 'Sr6 Cr6 O18' _cell_volume 355.20857015 _cell_formula_units_Z 6 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 0.33333300 0.66666700 0.09122000 1.0 Sr Sr1 1 0.00000000 0.00000000 0.25000000 1.0 Sr Sr2 1 0.00000000 0.00000000 0.75000000 1.0 Sr Sr3 1 0.33333300 0.66666700 0.40878000 1.0 Sr Sr4 1 0.66666700 0.33333300 0.59122000 1.0 Sr Sr5 1 0.66666700 0.33333300 0.90878000 1.0 Cr Cr6 1 0.33333300 0.66666700 0.84285000 1.0 Cr Cr7 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr8 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr9 1 0.33333300 0.66666700 0.65715000 1.0 Cr Cr10 1 0.66666700 0.33333300 0.15715000 1.0 Cr Cr11 1 0.66666700 0.33333300 0.34285000 1.0 O O12 1 0.16433100 0.32866100 0.58240700 1.0 O O13 1 0.16433100 0.32866100 0.91759300 1.0 O O14 1 0.48746400 0.51253600 0.75000000 1.0 O O15 1 0.67133900 0.83566900 0.58240700 1.0 O O16 1 0.67133900 0.83566900 0.91759300 1.0 O O17 1 0.02507200 0.51253600 0.75000000 1.0 O O18 1 0.48746400 0.97492800 0.75000000 1.0 O O19 1 0.16433100 0.83566900 0.58240700 1.0 O O20 1 0.16433100 0.83566900 0.91759300 1.0 O O21 1 0.83566900 0.16433100 0.08240700 1.0 O O22 1 0.83566900 0.16433100 0.41759300 1.0 O O23 1 0.51253600 0.02507200 0.25000000 1.0 O O24 1 0.97492800 0.48746400 0.25000000 1.0 O O25 1 0.32866100 0.16433100 0.08240700 1.0 O O26 1 0.32866100 0.16433100 0.41759300 1.0 O O27 1 0.51253600 0.48746400 0.25000000 1.0 O O28 1 0.83566900 0.67133900 0.41759300 1.0 O O29 1 0.83566900 0.67133900 0.08240700 1.0