# generated using pymatgen data_Ca2Nd3Si3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.62198573 _cell_length_b 9.62198573 _cell_length_c 7.08576200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999815 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Nd3Si3O13 _chemical_formula_sum 'Ca4 Nd6 Si6 O26' _cell_volume 568.12855455 _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 Ca Ca0 1 0.66666700 0.33333300 0.00324300 1.0 Ca Ca1 1 0.33333300 0.66666700 0.99675700 1.0 Ca Ca2 1 0.33333300 0.66666700 0.50324300 1.0 Ca Ca3 1 0.66666700 0.33333300 0.49675700 1.0 Nd Nd4 1 0.74861000 0.98884600 0.75000000 1.0 Nd Nd5 1 0.25139000 0.01115400 0.25000000 1.0 Nd Nd6 1 0.24023600 0.25139000 0.75000000 1.0 Nd Nd7 1 0.75976400 0.74861000 0.25000000 1.0 Nd Nd8 1 0.01115400 0.75976400 0.75000000 1.0 Nd Nd9 1 0.98884600 0.24023600 0.25000000 1.0 Si Si10 1 0.97161700 0.37065300 0.75000000 1.0 Si Si11 1 0.02838300 0.62934700 0.25000000 1.0 Si Si12 1 0.39903600 0.02838300 0.75000000 1.0 Si Si13 1 0.60096400 0.97161700 0.25000000 1.0 Si Si14 1 0.62934700 0.60096400 0.75000000 1.0 Si Si15 1 0.37065300 0.39903600 0.25000000 1.0 O O16 1 0.87476200 0.47043500 0.75000000 1.0 O O17 1 0.12523800 0.52956500 0.25000000 1.0 O O18 1 0.59567300 0.12523800 0.75000000 1.0 O O19 1 0.40432700 0.87476200 0.25000000 1.0 O O20 1 0.52956500 0.40432700 0.75000000 1.0 O O21 1 0.47043500 0.59567300 0.25000000 1.0 O O22 1 0.91029400 0.24715700 0.93258200 1.0 O O23 1 0.08970600 0.75284300 0.06741800 1.0 O O24 1 0.33686300 0.08970600 0.93258200 1.0 O O25 1 0.08970600 0.75284300 0.43258200 1.0 O O26 1 0.66313700 0.91029400 0.06741800 1.0 O O27 1 0.91029400 0.24715700 0.56741800 1.0 O O28 1 0.75284300 0.66313700 0.93258200 1.0 O O29 1 0.66313700 0.91029400 0.43258200 1.0 O O30 1 0.24715700 0.33686300 0.06741800 1.0 O O31 1 0.33686300 0.08970600 0.56741800 1.0 O O32 1 0.24715700 0.33686300 0.43258200 1.0 O O33 1 0.75284300 0.66313700 0.56741800 1.0 O O34 1 0.51722700 0.68375500 0.75000000 1.0 O O35 1 0.48277300 0.31624500 0.25000000 1.0 O O36 1 0.16652800 0.48277300 0.75000000 1.0 O O37 1 0.83347200 0.51722700 0.25000000 1.0 O O38 1 0.31624500 0.83347200 0.75000000 1.0 O O39 1 0.68375500 0.16652800 0.25000000 1.0 O O40 1 0.00000000 0.00000000 0.75000000 1.0 O O41 1 0.00000000 0.00000000 0.25000000 1.0