# generated using pymatgen data_SrTl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14648115 _cell_length_b 7.14648115 _cell_length_c 5.50614497 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001398 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTl3 _chemical_formula_sum 'Sr2 Tl6' _cell_volume 243.53574690 _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 Sr Sr0 1 0.33333300 0.66666700 0.75000000 1.0 Sr Sr1 1 0.66666700 0.33333300 0.25000000 1.0 Tl Tl2 1 0.15708434 0.31416869 0.25000000 1.0 Tl Tl3 1 0.68583131 0.84291566 0.25000000 1.0 Tl Tl4 1 0.15708434 0.84291566 0.25000000 1.0 Tl Tl5 1 0.84291566 0.68583131 0.75000000 1.0 Tl Tl6 1 0.31416869 0.15708434 0.75000000 1.0 Tl Tl7 1 0.84291566 0.15708434 0.75000000 1.0