# generated using pymatgen data_Ca2Gd3Si3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95682400 _cell_length_b 9.51670450 _cell_length_c 9.51670450 _cell_angle_alpha 120.00000347 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Gd3Si3O13 _chemical_formula_sum 'Ca4 Gd6 Si6 O26' _cell_volume 545.65080656 _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 0.00375600 0.66666700 0.33333300 1.0 Ca Ca1 1 0.99624400 0.33333300 0.66666700 1.0 Ca Ca2 1 0.50375600 0.33333300 0.66666700 1.0 Ca Ca3 1 0.49624400 0.66666700 0.33333300 1.0 Gd Gd4 1 0.75000000 0.75192400 0.99319300 1.0 Gd Gd5 1 0.25000000 0.24807600 0.00680700 1.0 Gd Gd6 1 0.75000000 0.24126900 0.24807600 1.0 Gd Gd7 1 0.25000000 0.75873100 0.75192400 1.0 Gd Gd8 1 0.75000000 0.00680700 0.75873100 1.0 Gd Gd9 1 0.25000000 0.99319300 0.24126900 1.0 Si Si10 1 0.75000000 0.97417400 0.36934700 1.0 Si Si11 1 0.25000000 0.02582600 0.63065300 1.0 Si Si12 1 0.75000000 0.39517400 0.02582600 1.0 Si Si13 1 0.25000000 0.60482600 0.97417400 1.0 Si Si14 1 0.75000000 0.63065300 0.60482600 1.0 Si Si15 1 0.25000000 0.36934700 0.39517400 1.0 O O16 1 0.75000000 0.87997600 0.47355800 1.0 O O17 1 0.25000000 0.12002400 0.52644200 1.0 O O18 1 0.75000000 0.59358200 0.12002400 1.0 O O19 1 0.25000000 0.40641800 0.87997600 1.0 O O20 1 0.75000000 0.52644200 0.40641800 1.0 O O21 1 0.25000000 0.47355800 0.59358200 1.0 O O22 1 0.93494400 0.90979500 0.24366200 1.0 O O23 1 0.06505600 0.09020500 0.75633800 1.0 O O24 1 0.93494400 0.33386700 0.09020500 1.0 O O25 1 0.43494400 0.09020500 0.75633800 1.0 O O26 1 0.06505600 0.66613300 0.90979500 1.0 O O27 1 0.56505600 0.90979500 0.24366200 1.0 O O28 1 0.93494400 0.75633800 0.66613300 1.0 O O29 1 0.43494400 0.66613300 0.90979500 1.0 O O30 1 0.06505600 0.24366200 0.33386700 1.0 O O31 1 0.56505600 0.33386700 0.09020500 1.0 O O32 1 0.43494400 0.24366200 0.33386700 1.0 O O33 1 0.56505600 0.75633800 0.66613300 1.0 O O34 1 0.75000000 0.52069200 0.69139400 1.0 O O35 1 0.25000000 0.47930800 0.30860600 1.0 O O36 1 0.75000000 0.17070200 0.47930800 1.0 O O37 1 0.25000000 0.82929800 0.52069200 1.0 O O38 1 0.75000000 0.30860600 0.82929800 1.0 O O39 1 0.25000000 0.69139400 0.17070200 1.0 O O40 1 0.75000000 0.00000000 0.00000000 1.0 O O41 1 0.25000000 0.00000000 0.00000000 1.0