# generated using pymatgen data_Ba3Cr2MoO9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79718450 _cell_length_b 5.79719097 _cell_length_c 14.24342200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99976874 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Cr2MoO9 _chemical_formula_sum 'Ba6 Cr4 Mo2 O18' _cell_volume 414.55362290 _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 Ba Ba0 1 0.00000400 0.99999700 0.75000400 1.0 Ba Ba1 1 0.99999500 0.00000200 0.25000500 1.0 Ba Ba2 1 0.66667400 0.33332700 0.60219100 1.0 Ba Ba3 1 0.33332600 0.66667000 0.39782100 1.0 Ba Ba4 1 0.33333000 0.66667400 0.10219000 1.0 Ba Ba5 1 0.66667200 0.33333300 0.89781900 1.0 Cr Cr6 1 0.33333800 0.66666200 0.65935200 1.0 Cr Cr7 1 0.66666200 0.33333600 0.15935400 1.0 Cr Cr8 1 0.66666600 0.33333600 0.34062900 1.0 Cr Cr9 1 0.33333500 0.66667000 0.84063300 1.0 Mo Mo10 1 0.00000200 0.99999800 0.50000100 1.0 Mo Mo11 1 0.99999900 0.00000100 0.99999800 1.0 O O12 1 0.48464500 0.96927500 0.74999600 1.0 O O13 1 0.48464900 0.51535100 0.74999900 1.0 O O14 1 0.03072400 0.51535600 0.74999700 1.0 O O15 1 0.51535700 0.03072400 0.24999400 1.0 O O16 1 0.51535100 0.48464500 0.24999400 1.0 O O17 1 0.96927500 0.48464300 0.24999400 1.0 O O18 1 0.83955200 0.67910600 0.42172400 1.0 O O19 1 0.83955000 0.16045000 0.42172500 1.0 O O20 1 0.32089500 0.16045000 0.42172500 1.0 O O21 1 0.16044900 0.32089100 0.57828200 1.0 O O22 1 0.16044700 0.83955300 0.57828100 1.0 O O23 1 0.67910900 0.83955300 0.57828100 1.0 O O24 1 0.16044700 0.32089500 0.92172500 1.0 O O25 1 0.16044700 0.83955000 0.92172400 1.0 O O26 1 0.67910300 0.83955300 0.92172500 1.0 O O27 1 0.83955200 0.67910700 0.07828000 1.0 O O28 1 0.83955300 0.16044800 0.07828000 1.0 O O29 1 0.32089200 0.16044600 0.07828000 1.0