# generated using pymatgen data_Ca2Al4Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.59945401 _cell_length_b 13.59945328 _cell_length_c 4.24097920 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999464 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Al4Pt3 _chemical_formula_sum 'Ca8 Al16 Pt12' _cell_volume 679.26575427 _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 Ca Ca0 1 0.18401737 1.00000000 0.50000000 1.0 Ca Ca1 1 0.81598263 0.81598263 0.50000000 1.0 Ca Ca2 1 1.00000000 0.18401737 0.50000000 1.0 Ca Ca3 1 0.66666700 0.33333300 0.00000000 1.0 Ca Ca4 1 0.33333300 0.66666700 0.00000000 1.0 Ca Ca5 1 0.55144283 0.00000000 0.00000000 1.0 Ca Ca6 1 0.44855717 0.44855717 0.00000000 1.0 Ca Ca7 1 0.00000000 0.55144283 0.00000000 1.0 Al Al8 1 0.47138554 0.12158054 0.50000000 1.0 Al Al9 1 0.87841946 0.34980500 0.50000000 1.0 Al Al10 1 0.65019500 0.52861446 0.50000000 1.0 Al Al11 1 0.52861446 0.65019500 0.50000000 1.0 Al Al12 1 0.34980500 0.87841946 0.50000000 1.0 Al Al13 1 0.12158054 0.47138554 0.50000000 1.0 Al Al14 1 0.37817809 0.19603659 0.00000000 1.0 Al Al15 1 0.80396341 0.18214351 0.00000000 1.0 Al Al16 1 0.81785649 0.62182191 0.00000000 1.0 Al Al17 1 0.62182191 0.81785649 0.00000000 1.0 Al Al18 1 0.00000000 0.00000000 0.00000000 1.0 Al Al19 1 0.18214351 0.80396341 0.00000000 1.0 Al Al20 1 0.72150396 1.00000000 0.50000000 1.0 Al Al21 1 0.27849604 0.27849604 0.50000000 1.0 Al Al22 1 1.00000000 0.72150396 0.50000000 1.0 Al Al23 1 0.19603659 0.37817809 0.00000000 1.0 Pt Pt24 1 1.00000000 0.35056654 0.00000000 1.0 Pt Pt25 1 0.35056654 1.00000000 0.00000000 1.0 Pt Pt26 1 0.48142197 0.31168193 0.50000000 1.0 Pt Pt27 1 0.68831807 0.16973904 0.50000000 1.0 Pt Pt28 1 0.83026096 0.51857803 0.50000000 1.0 Pt Pt29 1 0.51857803 0.83026096 0.50000000 1.0 Pt Pt30 1 0.16973904 0.68831807 0.50000000 1.0 Pt Pt31 1 0.31168193 0.48142197 0.50000000 1.0 Pt Pt32 1 0.00000000 0.81687478 0.00000000 1.0 Pt Pt33 1 0.18312522 0.18312522 0.00000000 1.0 Pt Pt34 1 0.81687478 0.00000000 0.00000000 1.0 Pt Pt35 1 0.64943346 0.64943346 0.00000000 1.0