# generated using pymatgen data_Ho3P6BrN12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32656798 _cell_length_b 7.32656770 _cell_length_c 7.32656679 _cell_angle_alpha 109.35630197 _cell_angle_beta 109.35630286 _cell_angle_gamma 109.35626471 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho3P6BrN12 _chemical_formula_sum 'Ho3 P6 Br1 N12' _cell_volume 304.02837244 _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 Ho Ho0 1 0.02391735 0.34424386 0.02391735 1.0 Ho Ho1 1 0.02391735 0.02391735 0.34424386 1.0 Ho Ho2 1 0.34424386 0.02391735 0.02391735 1.0 P P3 1 0.50894493 0.26104769 0.75587429 1.0 P P4 1 0.26104769 0.75587429 0.50894493 1.0 P P5 1 0.75587429 0.50894493 0.26104769 1.0 P P6 1 0.75587429 0.26104769 0.50894493 1.0 P P7 1 0.50894493 0.75587429 0.26104769 1.0 P P8 1 0.26104769 0.50894493 0.75587429 1.0 Br Br9 1 0.87206846 0.87206846 0.87206846 1.0 N N10 1 0.40807960 0.69745048 0.40807960 1.0 N N11 1 0.69745048 0.40807960 0.40807960 1.0 N N12 1 0.40807960 0.40807960 0.69745048 1.0 N N13 1 0.72180254 0.29013837 0.72180254 1.0 N N14 1 0.00710802 0.59500095 0.29627404 1.0 N N15 1 0.29627404 0.59500095 0.00710802 1.0 N N16 1 0.29627404 0.00710802 0.59500095 1.0 N N17 1 0.00710802 0.29627404 0.59500095 1.0 N N18 1 0.72180254 0.72180254 0.29013837 1.0 N N19 1 0.59500095 0.00710802 0.29627404 1.0 N N20 1 0.29013837 0.72180254 0.72180254 1.0 N N21 1 0.59500095 0.29627404 0.00710802 1.0