# generated using pymatgen data_HfMg30VO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59746519 _cell_length_b 8.59746519 _cell_length_c 8.60142629 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg30VO32 _chemical_formula_sum 'Hf1 Mg30 V1 O32' _cell_volume 635.78653240 _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 Hf Hf0 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg1 1 0.00000000 0.50000000 0.00000000 1.0 Mg Mg2 1 0.00000000 0.50000000 0.50000000 1.0 Mg Mg3 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg4 1 0.50000000 0.00000000 0.50000000 1.0 Mg Mg5 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg6 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg7 1 0.00000000 0.25396009 0.24508430 1.0 Mg Mg8 1 0.00000000 0.25396009 0.75491570 1.0 Mg Mg9 1 0.00000000 0.74603991 0.24508430 1.0 Mg Mg10 1 0.00000000 0.74603991 0.75491570 1.0 Mg Mg11 1 0.50000000 0.25043525 0.24878797 1.0 Mg Mg12 1 0.50000000 0.25043525 0.75121203 1.0 Mg Mg13 1 0.50000000 0.74956475 0.24878797 1.0 Mg Mg14 1 0.50000000 0.74956475 0.75121203 1.0 Mg Mg15 1 0.25396009 0.00000000 0.24508430 1.0 Mg Mg16 1 0.25396009 0.00000000 0.75491570 1.0 Mg Mg17 1 0.25043525 0.50000000 0.24878797 1.0 Mg Mg18 1 0.25043525 0.50000000 0.75121203 1.0 Mg Mg19 1 0.74603991 0.00000000 0.24508430 1.0 Mg Mg20 1 0.74603991 0.00000000 0.75491570 1.0 Mg Mg21 1 0.74956475 0.50000000 0.24878797 1.0 Mg Mg22 1 0.74956475 0.50000000 0.75121203 1.0 Mg Mg23 1 0.25086628 0.25086628 0.00000000 1.0 Mg Mg24 1 0.25530686 0.25530686 0.50000000 1.0 Mg Mg25 1 0.25086628 0.74913372 0.00000000 1.0 Mg Mg26 1 0.25530686 0.74469314 0.50000000 1.0 Mg Mg27 1 0.74913372 0.25086628 0.00000000 1.0 Mg Mg28 1 0.74469314 0.25530686 0.50000000 1.0 Mg Mg29 1 0.74913372 0.74913372 0.00000000 1.0 Mg Mg30 1 0.74469314 0.74469314 0.50000000 1.0 V V31 1 0.00000000 0.00000000 0.00000000 1.0 O O32 1 0.25577941 0.00000000 0.00000000 1.0 O O33 1 0.25141061 0.00000000 0.50000000 1.0 O O34 1 0.25012446 0.50000000 0.00000000 1.0 O O35 1 0.24970111 0.50000000 0.50000000 1.0 O O36 1 0.74422059 0.00000000 0.00000000 1.0 O O37 1 0.74858939 0.00000000 0.50000000 1.0 O O38 1 0.74987554 0.50000000 0.00000000 1.0 O O39 1 0.75029889 0.50000000 0.50000000 1.0 O O40 1 0.24920808 0.24920808 0.25057155 1.0 O O41 1 0.24920808 0.24920808 0.74942845 1.0 O O42 1 0.24920808 0.75079192 0.25057155 1.0 O O43 1 0.24920808 0.75079192 0.74942845 1.0 O O44 1 0.75079192 0.24920808 0.25057155 1.0 O O45 1 0.75079192 0.24920808 0.74942845 1.0 O O46 1 0.75079192 0.75079192 0.25057155 1.0 O O47 1 0.75079192 0.75079192 0.74942845 1.0 O O48 1 0.00000000 0.00000000 0.24837645 1.0 O O49 1 0.00000000 0.00000000 0.75162355 1.0 O O50 1 0.00000000 0.50000000 0.25088256 1.0 O O51 1 0.00000000 0.50000000 0.74911744 1.0 O O52 1 0.50000000 0.00000000 0.25088256 1.0 O O53 1 0.50000000 0.00000000 0.74911744 1.0 O O54 1 0.50000000 0.50000000 0.25065318 1.0 O O55 1 0.50000000 0.50000000 0.74934682 1.0 O O56 1 0.00000000 0.25577941 0.00000000 1.0 O O57 1 0.00000000 0.25141061 0.50000000 1.0 O O58 1 0.00000000 0.74422059 0.00000000 1.0 O O59 1 0.00000000 0.74858939 0.50000000 1.0 O O60 1 0.50000000 0.25012446 0.00000000 1.0 O O61 1 0.50000000 0.24970111 0.50000000 1.0 O O62 1 0.50000000 0.74987554 0.00000000 1.0 O O63 1 0.50000000 0.75029889 0.50000000 1.0