# generated using pymatgen data_Ba8Ca3Nb5O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.50611163 _cell_length_b 10.50611163 _cell_length_c 10.50611163 _cell_angle_alpha 132.31683765 _cell_angle_beta 132.31683765 _cell_angle_gamma 69.72907424 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8Ca3Nb5O24 _chemical_formula_sum 'Ba8 Ca3 Nb5 O24' _cell_volume 621.84206397 _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 0.62860000 0.62860000 0.50719800 1.0 Ba Ba1 1 0.37140000 0.87859800 0.00000000 1.0 Ba Ba2 1 0.12140200 0.12140200 0.49280200 1.0 Ba Ba3 1 0.87859800 0.37140000 0.00000000 1.0 Ba Ba4 1 0.87859800 0.87859800 0.50719800 1.0 Ba Ba5 1 0.62860000 0.12140200 0.00000000 1.0 Ba Ba6 1 0.37140000 0.37140000 0.49280200 1.0 Ba Ba7 1 0.12140200 0.62860000 0.00000000 1.0 Ca Ca8 1 0.75000000 0.25000000 0.50000000 1.0 Ca Ca9 1 0.50000000 0.50000000 0.00000000 1.0 Ca Ca10 1 0.25000000 0.75000000 0.50000000 1.0 Nb Nb11 1 0.25524500 0.25524500 0.00000000 1.0 Nb Nb12 1 0.00000000 0.50000000 0.50000000 1.0 Nb Nb13 1 0.74475500 0.74475500 0.00000000 1.0 Nb Nb14 1 0.50000000 0.00000000 0.50000000 1.0 Nb Nb15 1 0.00000000 0.00000000 0.00000000 1.0 O O16 1 0.47399300 0.24155200 0.23244200 1.0 O O17 1 0.23200000 0.50000000 0.73200000 1.0 O O18 1 0.99089000 0.75844800 0.23244200 1.0 O O19 1 0.75516200 0.00000000 0.75516200 1.0 O O20 1 0.36580200 0.36580200 0.00000000 1.0 O O21 1 0.11543900 0.61543900 0.50000000 1.0 O O22 1 0.88484500 0.88484500 0.00000000 1.0 O O23 1 0.61543900 0.11543900 0.50000000 1.0 O O24 1 0.24155200 0.47399300 0.23244200 1.0 O O25 1 0.00000000 0.75516200 0.75516200 1.0 O O26 1 0.75844800 0.99089000 0.23244200 1.0 O O27 1 0.50000000 0.23200000 0.73200000 1.0 O O28 1 0.00911000 0.24155200 0.76755800 1.0 O O29 1 0.76800000 0.50000000 0.26800000 1.0 O O30 1 0.52600700 0.75844800 0.76755800 1.0 O O31 1 0.24483800 0.00000000 0.24483800 1.0 O O32 1 0.11515500 0.11515500 0.00000000 1.0 O O33 1 0.88456100 0.38456100 0.50000000 1.0 O O34 1 0.63419800 0.63419800 0.00000000 1.0 O O35 1 0.38456100 0.88456100 0.50000000 1.0 O O36 1 0.24155200 0.00911000 0.76755800 1.0 O O37 1 0.00000000 0.24483800 0.24483800 1.0 O O38 1 0.75844800 0.52600700 0.76755800 1.0 O O39 1 0.50000000 0.76800000 0.26800000 1.0