# generated using pymatgen data_Sr5P3ClO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.07199652 _cell_length_b 10.07199652 _cell_length_c 7.22086900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000340 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5P3ClO12 _chemical_formula_sum 'Sr10 P6 Cl2 O24' _cell_volume 634.38253324 _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 Sr Sr0 1 0.66666700 0.33333300 0.50194600 1.0 Sr Sr1 1 0.66666700 0.33333300 0.99805400 1.0 Sr Sr2 1 0.99946600 0.25383400 0.25000000 1.0 Sr Sr3 1 0.74563200 0.99946600 0.75000000 1.0 Sr Sr4 1 0.25383400 0.25436800 0.75000000 1.0 Sr Sr5 1 0.74616600 0.74563200 0.25000000 1.0 Sr Sr6 1 0.25436800 0.00053400 0.25000000 1.0 Sr Sr7 1 0.00053400 0.74616600 0.75000000 1.0 Sr Sr8 1 0.33333300 0.66666700 0.00194600 1.0 Sr Sr9 1 0.33333300 0.66666700 0.49805400 1.0 P P10 1 0.40820300 0.37435800 0.25000000 1.0 P P11 1 0.03384500 0.40820300 0.75000000 1.0 P P12 1 0.37435800 0.96615500 0.75000000 1.0 P P13 1 0.59179700 0.62564200 0.75000000 1.0 P P14 1 0.62564200 0.03384500 0.25000000 1.0 P P15 1 0.96615500 0.59179700 0.25000000 1.0 Cl Cl16 1 0.00000000 0.00000000 0.50000000 1.0 Cl Cl17 1 0.00000000 0.00000000 0.00000000 1.0 O O18 1 0.34336000 0.48573100 0.25000000 1.0 O O19 1 0.85762900 0.34336000 0.75000000 1.0 O O20 1 0.48573100 0.14237100 0.75000000 1.0 O O21 1 0.51426900 0.85762900 0.25000000 1.0 O O22 1 0.14237100 0.65664000 0.25000000 1.0 O O23 1 0.65664000 0.51426900 0.75000000 1.0 O O24 1 0.58768700 0.46507300 0.25000000 1.0 O O25 1 0.12261300 0.58768700 0.75000000 1.0 O O26 1 0.46507300 0.87738700 0.75000000 1.0 O O27 1 0.53492700 0.12261300 0.25000000 1.0 O O28 1 0.87738700 0.41231300 0.25000000 1.0 O O29 1 0.41231300 0.53492700 0.75000000 1.0 O O30 1 0.35568100 0.26930900 0.07570200 1.0 O O31 1 0.08637200 0.35568100 0.57570200 1.0 O O32 1 0.26930900 0.91362800 0.57570200 1.0 O O33 1 0.73069100 0.08637200 0.07570200 1.0 O O34 1 0.91362800 0.64431900 0.07570200 1.0 O O35 1 0.64431900 0.73069100 0.57570200 1.0 O O36 1 0.64431900 0.73069100 0.92429800 1.0 O O37 1 0.91362800 0.64431900 0.42429800 1.0 O O38 1 0.73069100 0.08637200 0.42429800 1.0 O O39 1 0.26930900 0.91362800 0.92429800 1.0 O O40 1 0.08637200 0.35568100 0.92429800 1.0 O O41 1 0.35568100 0.26930900 0.42429800 1.0