# generated using pymatgen data_Mg(Mo3Se4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83772700 _cell_length_b 6.85579970 _cell_length_c 13.66240323 _cell_angle_alpha 90.79340225 _cell_angle_beta 94.33812148 _cell_angle_gamma 94.47281537 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(Mo3Se4)2 _chemical_formula_sum 'Mg2 Mo12 Se16' _cell_volume 636.56179724 _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 Mg Mg0 1 0.11666900 0.91675300 0.74841800 1.0 Mg Mg1 1 0.88333100 0.08324700 0.25158200 1.0 Mo Mo2 1 0.23074400 0.41123300 0.52146400 1.0 Mo Mo3 1 0.23619100 0.41326000 0.02339300 1.0 Mo Mo4 1 0.41295500 0.55160000 0.36842200 1.0 Mo Mo5 1 0.45634000 0.76588500 0.54057200 1.0 Mo Mo6 1 0.41722900 0.55207400 0.86706500 1.0 Mo Mo7 1 0.45704800 0.76646500 0.03985400 1.0 Mo Mo8 1 0.54366000 0.23411500 0.45942800 1.0 Mo Mo9 1 0.58704500 0.44840000 0.63157800 1.0 Mo Mo10 1 0.54295200 0.23353500 0.96014600 1.0 Mo Mo11 1 0.58277100 0.44792600 0.13293500 1.0 Mo Mo12 1 0.76925600 0.58876700 0.47853600 1.0 Mo Mo13 1 0.76380900 0.58674000 0.97660700 1.0 Se Se14 1 0.13166100 0.73399900 0.43506100 1.0 Se Se15 1 0.12861400 0.73842800 0.93357500 1.0 Se Se16 1 0.26860400 0.60913600 0.68170400 1.0 Se Se17 1 0.21135200 0.21562900 0.35889400 1.0 Se Se18 1 0.27167300 0.61942500 0.18256400 1.0 Se Se19 1 0.20792100 0.22690300 0.85819800 1.0 Se Se20 1 0.37052100 0.11985300 0.61849200 1.0 Se Se21 1 0.37493800 0.11885800 0.11826700 1.0 Se Se22 1 0.62947900 0.88014700 0.38150800 1.0 Se Se23 1 0.62506200 0.88114200 0.88173300 1.0 Se Se24 1 0.78864800 0.78437100 0.64110600 1.0 Se Se25 1 0.73139600 0.39086400 0.31829600 1.0 Se Se26 1 0.79207900 0.77309700 0.14180200 1.0 Se Se27 1 0.72832700 0.38057500 0.81743600 1.0 Se Se28 1 0.86833900 0.26600100 0.56493900 1.0 Se Se29 1 0.87138600 0.26157200 0.06642500 1.0