# generated using pymatgen data_Sc3P2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77753603 _cell_length_b 6.95954184 _cell_length_c 14.44279466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3P2 _chemical_formula_sum 'Sc12 P8' _cell_volume 379.69991695 _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 Sc Sc0 1 0.75000000 0.13546759 0.06849843 1.0 Sc Sc1 1 0.25000000 0.86453409 0.93151325 1.0 Sc Sc2 1 0.75000000 0.63546759 0.43150157 1.0 Sc Sc3 1 0.25000000 0.36453409 0.56848675 1.0 Sc Sc4 1 0.25000000 0.66247710 0.72318906 1.0 Sc Sc5 1 0.75000000 0.33752150 0.27680864 1.0 Sc Sc6 1 0.25000000 0.16247710 0.77681094 1.0 Sc Sc7 1 0.75000000 0.83752150 0.22319136 1.0 Sc Sc8 1 0.25000000 0.50846265 0.10305643 1.0 Sc Sc9 1 0.75000000 0.49153662 0.89695293 1.0 Sc Sc10 1 0.25000000 0.00846265 0.39694357 1.0 Sc Sc11 1 0.75000000 0.99153662 0.60304707 1.0 P P12 1 0.25000000 0.75531232 0.54204517 1.0 P P13 1 0.75000000 0.24468135 0.45795023 1.0 P P14 1 0.25000000 0.25531232 0.95795483 1.0 P P15 1 0.75000000 0.74468135 0.04204977 1.0 P P16 1 0.25000000 0.62727660 0.29401767 1.0 P P17 1 0.75000000 0.37273117 0.70598122 1.0 P P18 1 0.25000000 0.12727660 0.20598233 1.0 P P19 1 0.75000000 0.87273117 0.79401878 1.0