# generated using pymatgen data_Sr2MoH9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.07722579 _cell_length_b 9.07722468 _cell_length_c 5.13127724 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000404 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MoH9 _chemical_formula_sum 'Sr6 Mo3 H27' _cell_volume 366.15276475 _cell_formula_units_Z 3 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 0.00000000 0.26447973 0.50000000 1.0 Sr Sr1 1 0.73552027 0.73552027 0.50000000 1.0 Sr Sr2 1 0.26447973 0.00000000 0.50000000 1.0 Sr Sr3 1 0.00000000 0.60827930 0.00000000 1.0 Sr Sr4 1 0.39172070 0.39172070 0.00000000 1.0 Sr Sr5 1 0.60827930 0.00000000 0.00000000 1.0 Mo Mo6 1 0.66666700 0.33333300 0.50000000 1.0 Mo Mo7 1 0.33333300 0.66666700 0.50000000 1.0 Mo Mo8 1 0.00000000 0.00000000 0.00000000 1.0 H H9 1 0.80240497 0.33037629 0.75082768 1.0 H H10 1 0.66962371 0.47202768 0.75082768 1.0 H H11 1 0.52797232 0.19759503 0.75082768 1.0 H H12 1 0.19759503 0.52797232 0.24917232 1.0 H H13 1 0.52797232 0.19759503 0.24917232 1.0 H H14 1 0.80240497 0.33037629 0.24917232 1.0 H H15 1 0.66962371 0.47202768 0.24917232 1.0 H H16 1 0.33037629 0.80240497 0.75082768 1.0 H H17 1 0.47202768 0.66962371 0.75082768 1.0 H H18 1 0.20072196 0.00000000 0.00000000 1.0 H H19 1 0.79927804 0.79927804 0.00000000 1.0 H H20 1 1.00000000 0.20072196 0.00000000 1.0 H H21 1 0.85508381 0.00000000 0.24408779 1.0 H H22 1 0.14491619 0.14491619 0.75591221 1.0 H H23 1 0.00000000 0.85508381 0.75591221 1.0 H H24 1 0.00000000 0.85508381 0.24408779 1.0 H H25 1 0.14491619 0.14491619 0.24408779 1.0 H H26 1 0.85508381 0.00000000 0.75591221 1.0 H H27 1 0.14060536 0.66838713 0.50000000 1.0 H H28 1 0.52778177 0.85939464 0.50000000 1.0 H H29 1 0.33161287 0.47221823 0.50000000 1.0 H H30 1 0.47221823 0.33161287 0.50000000 1.0 H H31 1 0.85939464 0.52778177 0.50000000 1.0 H H32 1 0.66838713 0.14060536 0.50000000 1.0 H H33 1 0.19759503 0.52797232 0.75082768 1.0 H H34 1 0.33037629 0.80240497 0.24917232 1.0 H H35 1 0.47202768 0.66962371 0.24917232 1.0