# generated using pymatgen data_Ba4Cr13O28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86343194 _cell_length_b 9.95267069 _cell_length_c 10.16138809 _cell_angle_alpha 69.68961555 _cell_angle_beta 90.00000453 _cell_angle_gamma 90.00000064 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Cr13O28 _chemical_formula_sum 'Ba4 Cr13 O28' _cell_volume 556.11786766 _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 Ba Ba0 1 0.50000000 0.12075100 0.79470100 1.0 Ba Ba1 1 0.00000000 0.12704800 0.28992600 1.0 Ba Ba2 1 0.50000000 0.86504400 0.23394100 1.0 Ba Ba3 1 0.00000000 0.86754000 0.69551000 1.0 Cr Cr4 1 0.00000000 0.74045200 0.43403000 1.0 Cr Cr5 1 0.50000000 0.72556500 0.91513800 1.0 Cr Cr6 1 0.00000000 0.28240800 0.57230500 1.0 Cr Cr7 1 0.50000000 0.28165700 0.07287900 1.0 Cr Cr8 1 0.25701500 0.50341600 0.74611900 1.0 Cr Cr9 1 0.74863200 0.49952400 0.24978100 1.0 Cr Cr10 1 0.50000000 0.50575300 0.49987800 1.0 Cr Cr11 1 0.00000000 0.49970200 0.99923900 1.0 Cr Cr12 1 0.25136800 0.49952400 0.24978100 1.0 Cr Cr13 1 0.74298500 0.50341600 0.74611900 1.0 Cr Cr14 1 0.00000000 0.81176000 0.06228300 1.0 Cr Cr15 1 0.50000000 0.18354100 0.43950900 1.0 Cr Cr16 1 0.00000000 0.18960600 0.93665200 1.0 O O17 1 0.75880200 0.14575900 0.53761900 1.0 O O18 1 0.25597600 0.14544000 0.03713400 1.0 O O19 1 0.24119800 0.14575900 0.53761900 1.0 O O20 1 0.74402400 0.14544000 0.03713400 1.0 O O21 1 0.00000000 0.14766000 0.77961900 1.0 O O22 1 0.50000000 0.14421200 0.28132000 1.0 O O23 1 0.21569800 0.85288200 0.44870900 1.0 O O24 1 0.74406000 0.85277700 0.96524500 1.0 O O25 1 0.78430200 0.85288200 0.44870900 1.0 O O26 1 0.25594000 0.85277700 0.96524500 1.0 O O27 1 0.00000000 0.84990200 0.21997000 1.0 O O28 1 0.50000000 0.86049500 0.74934400 1.0 O O29 1 0.74030500 0.61196900 0.37912100 1.0 O O30 1 0.24606800 0.61505700 0.87324600 1.0 O O31 1 0.25969500 0.61196900 0.37912100 1.0 O O32 1 0.75393200 0.61505700 0.87324600 1.0 O O33 1 0.00000000 0.61686900 0.62704100 1.0 O O34 1 0.50000000 0.61414700 0.13273300 1.0 O O35 1 0.26373700 0.38680400 0.62324700 1.0 O O36 1 0.76181100 0.38286900 0.12666500 1.0 O O37 1 0.73626300 0.38680400 0.62324700 1.0 O O38 1 0.23818900 0.38286900 0.12666500 1.0 O O39 1 0.00000000 0.38675400 0.36479200 1.0 O O40 1 0.50000000 0.38457700 0.86319200 1.0 O O41 1 0.50000000 0.60962000 0.62759600 1.0 O O42 1 0.00000000 0.61087200 0.12907000 1.0 O O43 1 0.50000000 0.38660700 0.37197000 1.0 O O44 1 0.00000000 0.39084600 0.86813100 1.0