# generated using pymatgen data_Tl2PO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97659900 _cell_length_b 5.04219700 _cell_length_c 16.61908706 _cell_angle_alpha 81.25421649 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2PO4 _chemical_formula_sum 'Tl8 P4 O16' _cell_volume 494.99616351 _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 0.02026700 0.39146300 0.12197700 1.0 Tl Tl1 1 0.97973300 0.39146300 0.62197700 1.0 Tl Tl2 1 0.52312700 0.60047900 0.99509400 1.0 Tl Tl3 1 0.47687300 0.60047900 0.49509400 1.0 Tl Tl4 1 0.56066300 0.29628800 0.78684900 1.0 Tl Tl5 1 0.43933700 0.29628800 0.28684900 1.0 Tl Tl6 1 0.00163500 0.78271000 0.29218100 1.0 Tl Tl7 1 0.99836500 0.78271000 0.79218100 1.0 P P8 1 0.57498000 0.89843300 0.15003100 1.0 P P9 1 0.42502000 0.89843300 0.65003100 1.0 P P10 1 0.84731700 0.16233800 0.41566000 1.0 P P11 1 0.15268300 0.16233800 0.91566000 1.0 O O12 1 0.36739400 0.78128400 0.11167800 1.0 O O13 1 0.63260600 0.78128400 0.61167800 1.0 O O14 1 0.56002800 0.21379800 0.14040100 1.0 O O15 1 0.43997200 0.21379800 0.64040100 1.0 O O16 1 0.58177900 0.79535100 0.24436000 1.0 O O17 1 0.41822100 0.79535100 0.74436000 1.0 O O18 1 0.79471700 0.82521100 0.10837700 1.0 O O19 1 0.20528300 0.82521100 0.60837700 1.0 O O20 1 0.84957300 0.32971500 0.32666200 1.0 O O21 1 0.15042700 0.32971500 0.82666200 1.0 O O22 1 0.85674100 0.36376100 0.47776900 1.0 O O23 1 0.14325900 0.36376100 0.97776900 1.0 O O24 1 0.61508300 0.01693000 0.41720600 1.0 O O25 1 0.38491700 0.01693000 0.91720600 1.0 O O26 1 0.04528300 0.96368100 0.42448200 1.0 O O27 1 0.95471700 0.96368100 0.92448200 1.0