# generated using pymatgen data_In2Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 20.38791328 _cell_length_b 20.38791328 _cell_length_c 20.38791292 _cell_angle_alpha 27.79027571 _cell_angle_beta 27.79027571 _cell_angle_gamma 27.79027562 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2Mo15Se19 _chemical_formula_sum 'In4 Mo30 Se38' _cell_volume 1626.61366489 _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 In In0 1 0.38630500 0.38630500 0.38630500 1.0 In In1 1 0.88630500 0.88630500 0.88630500 1.0 In In2 1 0.61369500 0.61369500 0.61369500 1.0 In In3 1 0.11369500 0.11369500 0.11369500 1.0 Mo Mo4 1 0.31225200 0.50234000 0.62650300 1.0 Mo Mo5 1 0.62650300 0.31225200 0.50234000 1.0 Mo Mo6 1 0.50234000 0.62650300 0.31225200 1.0 Mo Mo7 1 0.12650300 0.00234000 0.81225200 1.0 Mo Mo8 1 0.81225200 0.12650300 0.00234000 1.0 Mo Mo9 1 0.00234000 0.81225200 0.12650300 1.0 Mo Mo10 1 0.68774800 0.49766000 0.37349700 1.0 Mo Mo11 1 0.37349700 0.68774800 0.49766000 1.0 Mo Mo12 1 0.49766000 0.37349700 0.68774800 1.0 Mo Mo13 1 0.87349700 0.99766000 0.18774800 1.0 Mo Mo14 1 0.18774800 0.87349700 0.99766000 1.0 Mo Mo15 1 0.99766000 0.18774800 0.87349700 1.0 Mo Mo16 1 0.13885100 0.27587400 0.45234200 1.0 Mo Mo17 1 0.45234200 0.13885100 0.27587400 1.0 Mo Mo18 1 0.27587400 0.45234200 0.13885100 1.0 Mo Mo19 1 0.95234200 0.77587400 0.63885100 1.0 Mo Mo20 1 0.63885100 0.95234200 0.77587400 1.0 Mo Mo21 1 0.77587400 0.63885100 0.95234200 1.0 Mo Mo22 1 0.86114900 0.72412600 0.54765800 1.0 Mo Mo23 1 0.54765800 0.86114900 0.72412600 1.0 Mo Mo24 1 0.72412600 0.54765800 0.86114900 1.0 Mo Mo25 1 0.04765800 0.22412600 0.36114900 1.0 Mo Mo26 1 0.36114900 0.04765800 0.22412600 1.0 Mo Mo27 1 0.22412600 0.36114900 0.04765800 1.0 Mo Mo28 1 0.09092600 0.40907400 0.25000000 1.0 Mo Mo29 1 0.25000000 0.09092600 0.40907400 1.0 Mo Mo30 1 0.40907400 0.25000000 0.09092600 1.0 Mo Mo31 1 0.75000000 0.90907400 0.59092600 1.0 Mo Mo32 1 0.59092600 0.75000000 0.90907400 1.0 Mo Mo33 1 0.90907400 0.59092600 0.75000000 1.0 Se Se34 1 0.44349800 0.19743100 0.81005500 1.0 Se Se35 1 0.81005500 0.44349800 0.19743100 1.0 Se Se36 1 0.19743100 0.81005500 0.44349800 1.0 Se Se37 1 0.31005500 0.69743100 0.94349800 1.0 Se Se38 1 0.94349800 0.31005500 0.69743100 1.0 Se Se39 1 0.69743100 0.94349800 0.31005500 1.0 Se Se40 1 0.55650200 0.80256900 0.18994500 1.0 Se Se41 1 0.18994500 0.55650200 0.80256900 1.0 Se Se42 1 0.80256900 0.18994500 0.55650200 1.0 Se Se43 1 0.68994500 0.30256900 0.05650200 1.0 Se Se44 1 0.05650200 0.68994500 0.30256900 1.0 Se Se45 1 0.30256900 0.05650200 0.68994500 1.0 Se Se46 1 0.96176400 0.57916000 0.31580000 1.0 Se Se47 1 0.31580000 0.96176400 0.57916000 1.0 Se Se48 1 0.57916000 0.31580000 0.96176400 1.0 Se Se49 1 0.81580000 0.07916000 0.46176400 1.0 Se Se50 1 0.46176400 0.81580000 0.07916000 1.0 Se Se51 1 0.07916000 0.46176400 0.81580000 1.0 Se Se52 1 0.03823600 0.42084000 0.68420000 1.0 Se Se53 1 0.68420000 0.03823600 0.42084000 1.0 Se Se54 1 0.42084000 0.68420000 0.03823600 1.0 Se Se55 1 0.18420000 0.92084000 0.53823600 1.0 Se Se56 1 0.53823600 0.18420000 0.92084000 1.0 Se Se57 1 0.92084000 0.53823600 0.18420000 1.0 Se Se58 1 0.55834600 0.94165400 0.25000000 1.0 Se Se59 1 0.25000000 0.55834600 0.94165400 1.0 Se Se60 1 0.94165400 0.25000000 0.55834600 1.0 Se Se61 1 0.75000000 0.44165400 0.05834600 1.0 Se Se62 1 0.05834600 0.75000000 0.44165400 1.0 Se Se63 1 0.44165400 0.05834600 0.75000000 1.0 Se Se64 1 0.44559500 0.44559500 0.44559500 1.0 Se Se65 1 0.94559500 0.94559500 0.94559500 1.0 Se Se66 1 0.55440500 0.55440500 0.55440500 1.0 Se Se67 1 0.05440500 0.05440500 0.05440500 1.0 Se Se68 1 0.32370400 0.32370400 0.32370400 1.0 Se Se69 1 0.82370400 0.82370400 0.82370400 1.0 Se Se70 1 0.67629600 0.67629600 0.67629600 1.0 Se Se71 1 0.17629600 0.17629600 0.17629600 1.0