# generated using pymatgen data_Ho2Cu4Br13N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.02261800 _cell_length_b 11.02261800 _cell_length_c 11.02261800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2Cu4Br13N3 _chemical_formula_sum 'Ho4 Cu8 Br26 N6' _cell_volume 1339.22722751 _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 Ho Ho0 1 0.75000000 0.75000000 0.75000000 1.0 Ho Ho1 1 0.25000000 0.75000000 0.25000000 1.0 Ho Ho2 1 0.25000000 0.25000000 0.75000000 1.0 Ho Ho3 1 0.75000000 0.25000000 0.25000000 1.0 Cu Cu4 1 0.63072500 0.36927500 0.63072500 1.0 Cu Cu5 1 0.36927500 0.36927500 0.36927500 1.0 Cu Cu6 1 0.36927500 0.63072500 0.63072500 1.0 Cu Cu7 1 0.63072500 0.63072500 0.36927500 1.0 Cu Cu8 1 0.86927500 0.13072500 0.86927500 1.0 Cu Cu9 1 0.13072500 0.13072500 0.13072500 1.0 Cu Cu10 1 0.13072500 0.86927500 0.86927500 1.0 Cu Cu11 1 0.86927500 0.86927500 0.13072500 1.0 Br Br12 1 0.77788400 0.72529400 0.49961800 1.0 Br Br13 1 0.22211600 0.72529400 0.50038200 1.0 Br Br14 1 0.22211600 0.27470600 0.49961800 1.0 Br Br15 1 0.77788400 0.27470600 0.50038200 1.0 Br Br16 1 0.49961800 0.77788400 0.72529400 1.0 Br Br17 1 0.50038200 0.22211600 0.72529400 1.0 Br Br18 1 0.49961800 0.22211600 0.27470600 1.0 Br Br19 1 0.50038200 0.77788400 0.27470600 1.0 Br Br20 1 0.72529400 0.49961800 0.77788400 1.0 Br Br21 1 0.72529400 0.50038200 0.22211600 1.0 Br Br22 1 0.27470600 0.49961800 0.22211600 1.0 Br Br23 1 0.27470600 0.50038200 0.77788400 1.0 Br Br24 1 0.72211600 0.77470600 0.00038200 1.0 Br Br25 1 0.27788400 0.77470600 0.99961800 1.0 Br Br26 1 0.27788400 0.22529400 0.00038200 1.0 Br Br27 1 0.72211600 0.22529400 0.99961800 1.0 Br Br28 1 0.00038200 0.72211600 0.77470600 1.0 Br Br29 1 0.99961800 0.27788400 0.77470600 1.0 Br Br30 1 0.00038200 0.27788400 0.22529400 1.0 Br Br31 1 0.99961800 0.72211600 0.22529400 1.0 Br Br32 1 0.77470600 0.00038200 0.72211600 1.0 Br Br33 1 0.77470600 0.99961800 0.27788400 1.0 Br Br34 1 0.22529400 0.00038200 0.27788400 1.0 Br Br35 1 0.22529400 0.99961800 0.72211600 1.0 Br Br36 1 0.50000000 0.50000000 0.50000000 1.0 Br Br37 1 0.00000000 0.00000000 0.00000000 1.0 N N38 1 0.00000000 0.50000000 0.50000000 1.0 N N39 1 0.50000000 0.00000000 0.50000000 1.0 N N40 1 0.50000000 0.50000000 0.00000000 1.0 N N41 1 0.50000000 0.00000000 0.00000000 1.0 N N42 1 0.00000000 0.50000000 0.00000000 1.0 N N43 1 0.00000000 0.00000000 0.50000000 1.0