# generated using pymatgen data_Yb3PI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.57422644 _cell_length_b 10.57422709 _cell_length_c 10.57422653 _cell_angle_alpha 109.47121586 _cell_angle_beta 109.47121710 _cell_angle_gamma 109.47122554 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb3PI3 _chemical_formula_sum 'Yb12 P4 I12' _cell_volume 910.17305925 _cell_formula_units_Z 4 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 Yb Yb0 1 0.75000000 0.23265022 0.26734978 1.0 Yb Yb1 1 0.23265022 0.26734978 0.75000000 1.0 Yb Yb2 1 0.46529845 0.48265022 0.23265022 1.0 Yb Yb3 1 0.26734978 0.01734978 0.03470155 1.0 Yb Yb4 1 0.23265022 0.46529845 0.48265022 1.0 Yb Yb5 1 0.01734978 0.03470155 0.26734978 1.0 Yb Yb6 1 0.01734978 0.48265022 0.75000000 1.0 Yb Yb7 1 0.48265022 0.23265022 0.46529845 1.0 Yb Yb8 1 0.75000000 0.01734978 0.48265022 1.0 Yb Yb9 1 0.03470155 0.26734978 0.01734978 1.0 Yb Yb10 1 0.48265022 0.75000000 0.01734978 1.0 Yb Yb11 1 0.26734978 0.75000000 0.23265022 1.0 P P12 1 0.50000000 0.00000000 0.25000000 1.0 P P13 1 0.25000000 0.50000000 0.00000000 1.0 P P14 1 0.00000000 0.25000000 0.50000000 1.0 P P15 1 0.25000000 0.25000000 0.25000000 1.0 I I16 1 0.99677899 0.99355897 0.74677899 1.0 I I17 1 0.99355897 0.74677899 0.99677899 1.0 I I18 1 0.25000000 0.99677899 0.50322101 1.0 I I19 1 0.74677899 0.99677899 0.99355897 1.0 I I20 1 0.50322101 0.25000000 0.99677899 1.0 I I21 1 0.74677899 0.25000000 0.75322101 1.0 I I22 1 0.50322101 0.75322101 0.50644103 1.0 I I23 1 0.99677899 0.50322101 0.25000000 1.0 I I24 1 0.50644103 0.50322101 0.75322101 1.0 I I25 1 0.25000000 0.75322101 0.74677899 1.0 I I26 1 0.75322101 0.50644103 0.50322101 1.0 I I27 1 0.75322101 0.74677899 0.25000000 1.0