# generated using pymatgen data_Ba6VMo2H27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55121145 _cell_length_b 9.55121078 _cell_length_c 5.37090772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000932 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6VMo2H27 _chemical_formula_sum 'Ba6 V1 Mo2 H27' _cell_volume 424.32163051 _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 0.00000000 0.26046688 0.50000000 1.0 Ba Ba1 1 0.73953312 0.73953312 0.50000000 1.0 Ba Ba2 1 0.26046688 0.00000000 0.50000000 1.0 Ba Ba3 1 0.00000000 0.61333066 0.00000000 1.0 Ba Ba4 1 0.38666934 0.38666934 0.00000000 1.0 Ba Ba5 1 0.61333066 0.00000000 0.00000000 1.0 V V6 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo7 1 0.66666700 0.33333300 0.50000000 1.0 Mo Mo8 1 0.33333300 0.66666700 0.50000000 1.0 H H9 1 0.78854581 0.32159166 0.74198857 1.0 H H10 1 0.67840834 0.46695216 0.74198857 1.0 H H11 1 0.53304784 0.21145419 0.74198857 1.0 H H12 1 0.21145419 0.53304784 0.25801143 1.0 H H13 1 0.53304784 0.21145419 0.25801143 1.0 H H14 1 0.78854581 0.32159166 0.25801143 1.0 H H15 1 0.67840834 0.46695216 0.25801143 1.0 H H16 1 0.32159166 0.78854581 0.74198857 1.0 H H17 1 0.46695216 0.67840834 0.74198857 1.0 H H18 1 0.18682394 1.00000000 0.00000000 1.0 H H19 1 0.81317606 0.81317606 0.00000000 1.0 H H20 1 1.00000000 0.18682394 0.00000000 1.0 H H21 1 0.86615306 0.00000000 0.22760075 1.0 H H22 1 0.13384694 0.13384694 0.77239925 1.0 H H23 1 0.00000000 0.86615306 0.77239925 1.0 H H24 1 0.00000000 0.86615306 0.22760075 1.0 H H25 1 0.13384694 0.13384694 0.22760075 1.0 H H26 1 0.86615306 0.00000000 0.77239925 1.0 H H27 1 0.14333131 0.65275116 0.50000000 1.0 H H28 1 0.50942084 0.85666869 0.50000000 1.0 H H29 1 0.34724884 0.49057916 0.50000000 1.0 H H30 1 0.49057916 0.34724884 0.50000000 1.0 H H31 1 0.85666869 0.50942084 0.50000000 1.0 H H32 1 0.65275116 0.14333131 0.50000000 1.0 H H33 1 0.21145419 0.53304784 0.74198857 1.0 H H34 1 0.32159166 0.78854581 0.25801143 1.0 H H35 1 0.46695216 0.67840834 0.25801143 1.0