# generated using pymatgen data_Sc4Si2Pt7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99508144 _cell_length_b 6.50971073 _cell_length_c 16.28085673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Si2Pt7 _chemical_formula_sum 'Sc8 Si4 Pt14' _cell_volume 423.41338397 _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 Sc Sc0 1 0.00000000 0.28540203 0.46112543 1.0 Sc Sc1 1 0.00000000 0.71459797 0.53887457 1.0 Sc Sc2 1 0.00000000 0.78540203 0.03887457 1.0 Sc Sc3 1 0.00000000 0.21459797 0.96112543 1.0 Sc Sc4 1 0.00000000 0.52534410 0.29112876 1.0 Sc Sc5 1 0.00000000 0.47465590 0.70887124 1.0 Sc Sc6 1 0.00000000 0.02534410 0.20887124 1.0 Sc Sc7 1 0.00000000 0.97465590 0.79112876 1.0 Si Si8 1 0.50000000 0.84044238 0.30771281 1.0 Si Si9 1 0.50000000 0.15955762 0.69228719 1.0 Si Si10 1 0.50000000 0.34044238 0.19228719 1.0 Si Si11 1 0.50000000 0.65955762 0.80771281 1.0 Pt Pt12 1 -0.00000000 0.90818587 0.38222865 1.0 Pt Pt13 1 -0.00000000 0.09181413 0.61777135 1.0 Pt Pt14 1 -0.00000000 0.40818587 0.11777135 1.0 Pt Pt15 1 0.00000000 0.59181413 0.88222865 1.0 Pt Pt16 1 0.50000000 0.59544753 0.42102073 1.0 Pt Pt17 1 0.50000000 0.40455247 0.57897927 1.0 Pt Pt18 1 0.50000000 0.09544753 0.07897927 1.0 Pt Pt19 1 0.50000000 0.90455247 0.92102073 1.0 Pt Pt20 1 0.50000000 0.50000000 -0.00000000 1.0 Pt Pt21 1 0.50000000 -0.00000000 0.50000000 1.0 Pt Pt22 1 0.50000000 0.21446279 0.33129240 1.0 Pt Pt23 1 0.50000000 0.78553721 0.66870760 1.0 Pt Pt24 1 0.50000000 0.71446279 0.16870760 1.0 Pt Pt25 1 0.50000000 0.28553721 0.83129240 1.0