# generated using pymatgen data_Tl2Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69237224 _cell_length_b 5.69237201 _cell_length_c 14.03436100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000135 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2Pt3 _chemical_formula_sum 'Tl8 Pt12' _cell_volume 393.83094338 _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 Tl Tl0 1 -0.00000000 -0.00000000 0.25000000 1.0 Tl Tl1 1 -0.00000000 -0.00000000 0.75000000 1.0 Tl Tl2 1 0.33333300 0.66666700 0.25000000 1.0 Tl Tl3 1 0.66666700 0.33333300 0.75000000 1.0 Tl Tl4 1 0.33333300 0.66666700 0.90734232 1.0 Tl Tl5 1 0.33333300 0.66666700 0.59265768 1.0 Tl Tl6 1 0.66666700 0.33333300 0.09265768 1.0 Tl Tl7 1 0.66666700 0.33333300 0.40734232 1.0 Pt Pt8 1 0.16611463 0.33222573 0.08619116 1.0 Pt Pt9 1 0.66777427 0.83388990 0.08619116 1.0 Pt Pt10 1 0.16611010 0.83388537 0.08619116 1.0 Pt Pt11 1 0.66777427 0.83388537 0.41380884 1.0 Pt Pt12 1 0.16611010 0.33222573 0.41380884 1.0 Pt Pt13 1 0.16611463 0.83388990 0.41380884 1.0 Pt Pt14 1 0.83388537 0.66777427 0.91380884 1.0 Pt Pt15 1 0.33222573 0.16611010 0.91380884 1.0 Pt Pt16 1 0.83388990 0.16611463 0.91380884 1.0 Pt Pt17 1 0.33222573 0.16611463 0.58619116 1.0 Pt Pt18 1 0.83388990 0.66777427 0.58619116 1.0 Pt Pt19 1 0.83388537 0.16611010 0.58619116 1.0