# generated using pymatgen data_Ca3Sn13Pt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94085400 _cell_length_b 9.94085400 _cell_length_c 9.94085400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Sn13Pt4 _chemical_formula_sum 'Ca6 Sn26 Pt8' _cell_volume 982.36094057 _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 Ca Ca0 1 0.25000000 0.00000000 0.50000000 1.0 Ca Ca1 1 0.75000000 0.00000000 0.50000000 1.0 Ca Ca2 1 0.50000000 0.25000000 0.00000000 1.0 Ca Ca3 1 0.50000000 0.75000000 0.00000000 1.0 Ca Ca4 1 0.00000000 0.50000000 0.25000000 1.0 Ca Ca5 1 0.00000000 0.50000000 0.75000000 1.0 Sn Sn6 1 0.00000000 0.00000000 0.00000000 1.0 Sn Sn7 1 0.50000000 0.50000000 0.50000000 1.0 Sn Sn8 1 0.00000000 0.15032200 0.30700000 1.0 Sn Sn9 1 0.00000000 0.84967800 0.69300000 1.0 Sn Sn10 1 0.00000000 0.84967800 0.30700000 1.0 Sn Sn11 1 0.00000000 0.15032200 0.69300000 1.0 Sn Sn12 1 0.30700000 0.00000000 0.15032200 1.0 Sn Sn13 1 0.65032200 0.50000000 0.19300000 1.0 Sn Sn14 1 0.69300000 0.00000000 0.84967800 1.0 Sn Sn15 1 0.34967800 0.50000000 0.80700000 1.0 Sn Sn16 1 0.30700000 0.00000000 0.84967800 1.0 Sn Sn17 1 0.34967800 0.50000000 0.19300000 1.0 Sn Sn18 1 0.69300000 0.00000000 0.15032200 1.0 Sn Sn19 1 0.65032200 0.50000000 0.80700000 1.0 Sn Sn20 1 0.15032200 0.30700000 0.00000000 1.0 Sn Sn21 1 0.50000000 0.80700000 0.34967800 1.0 Sn Sn22 1 0.84967800 0.69300000 0.00000000 1.0 Sn Sn23 1 0.50000000 0.19300000 0.65032200 1.0 Sn Sn24 1 0.15032200 0.69300000 0.00000000 1.0 Sn Sn25 1 0.50000000 0.19300000 0.34967800 1.0 Sn Sn26 1 0.84967800 0.30700000 0.00000000 1.0 Sn Sn27 1 0.50000000 0.80700000 0.65032200 1.0 Sn Sn28 1 0.19300000 0.65032200 0.50000000 1.0 Sn Sn29 1 0.80700000 0.34967800 0.50000000 1.0 Sn Sn30 1 0.19300000 0.34967800 0.50000000 1.0 Sn Sn31 1 0.80700000 0.65032200 0.50000000 1.0 Pt Pt32 1 0.25000000 0.25000000 0.25000000 1.0 Pt Pt33 1 0.75000000 0.75000000 0.75000000 1.0 Pt Pt34 1 0.75000000 0.75000000 0.25000000 1.0 Pt Pt35 1 0.75000000 0.25000000 0.75000000 1.0 Pt Pt36 1 0.25000000 0.25000000 0.75000000 1.0 Pt Pt37 1 0.25000000 0.75000000 0.25000000 1.0 Pt Pt38 1 0.25000000 0.75000000 0.75000000 1.0 Pt Pt39 1 0.75000000 0.25000000 0.25000000 1.0