# generated using pymatgen data_HoMgSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89047100 _cell_length_b 6.89047081 _cell_length_c 19.27840100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999611 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoMgSe3 _chemical_formula_sum 'Ho6 Mg6 Se18' _cell_volume 792.68285486 _cell_formula_units_Z 6 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 Ho Ho0 1 0.00000000 0.00000000 0.34480700 1.0 Ho Ho1 1 0.00000000 0.00000000 0.65519300 1.0 Ho Ho2 1 0.66666700 0.33333300 0.67814000 1.0 Ho Ho3 1 0.66666700 0.33333300 0.98852600 1.0 Ho Ho4 1 0.33333300 0.66666700 0.01147400 1.0 Ho Ho5 1 0.33333300 0.66666700 0.32186000 1.0 Mg Mg6 1 0.00000000 0.00000000 0.15978800 1.0 Mg Mg7 1 0.00000000 0.00000000 0.84021200 1.0 Mg Mg8 1 0.66666700 0.33333300 0.49312100 1.0 Mg Mg9 1 0.66666700 0.33333300 0.17354500 1.0 Mg Mg10 1 0.33333300 0.66666700 0.82645500 1.0 Mg Mg11 1 0.33333300 0.66666700 0.50687900 1.0 Se Se12 1 0.99001800 0.34929800 0.58227700 1.0 Se Se13 1 0.00998200 0.65070200 0.41772300 1.0 Se Se14 1 0.65070200 0.64071900 0.58227700 1.0 Se Se15 1 0.34929800 0.35928100 0.41772300 1.0 Se Se16 1 0.35928100 0.00998200 0.58227700 1.0 Se Se17 1 0.64071900 0.99001800 0.41772300 1.0 Se Se18 1 0.65668500 0.68263100 0.91561000 1.0 Se Se19 1 0.67664900 0.98403500 0.75105600 1.0 Se Se20 1 0.31736900 0.97405200 0.91561000 1.0 Se Se21 1 0.01596500 0.69261300 0.75105600 1.0 Se Se22 1 0.02594700 0.34331500 0.91561000 1.0 Se Se23 1 0.30738700 0.32335100 0.75105600 1.0 Se Se24 1 0.32335100 0.01596500 0.24894400 1.0 Se Se25 1 0.34331500 0.31736900 0.08439000 1.0 Se Se26 1 0.98403500 0.30738700 0.24894400 1.0 Se Se27 1 0.68263100 0.02594700 0.08439000 1.0 Se Se28 1 0.69261300 0.67664900 0.24894400 1.0 Se Se29 1 0.97405200 0.65668500 0.08439000 1.0