# generated using pymatgen data_TePO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53083414 _cell_length_b 7.48093143 _cell_length_c 7.39114175 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePO5 _chemical_formula_sum 'Te4 P4 O20' _cell_volume 361.10696057 _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 Te Te0 1 0.25000000 0.13020578 0.74865104 1.0 Te Te1 1 0.75000000 0.36979422 0.24865104 1.0 Te Te2 1 0.25000000 0.63020578 0.75134896 1.0 Te Te3 1 0.75000000 0.86979422 0.25134896 1.0 P P4 1 0.75000000 0.12759232 0.63327452 1.0 P P5 1 0.25000000 0.37240768 0.13327452 1.0 P P6 1 0.75000000 0.62759232 0.86672548 1.0 P P7 1 0.25000000 0.87240768 0.36672548 1.0 O O8 1 0.25000000 0.04581415 0.47815225 1.0 O O9 1 0.75000000 0.11921155 0.17522166 1.0 O O10 1 0.56438138 0.13138869 0.75952593 1.0 O O11 1 0.93561862 0.13138869 0.75952593 1.0 O O12 1 0.25000000 0.20429198 0.01300748 1.0 O O13 1 0.75000000 0.29570802 0.51300748 1.0 O O14 1 0.06438138 0.36861131 0.25952593 1.0 O O15 1 0.43561862 0.36861131 0.25952593 1.0 O O16 1 0.25000000 0.38078845 0.67522166 1.0 O O17 1 0.75000000 0.45418585 0.97815225 1.0 O O18 1 0.25000000 0.54581415 0.02184775 1.0 O O19 1 0.75000000 0.61921155 0.32477834 1.0 O O20 1 0.56438138 0.63138869 0.74047407 1.0 O O21 1 0.93561862 0.63138869 0.74047407 1.0 O O22 1 0.25000000 0.70429198 0.48699252 1.0 O O23 1 0.75000000 0.79570802 0.98699252 1.0 O O24 1 0.06438138 0.86861131 0.24047407 1.0 O O25 1 0.43561862 0.86861131 0.24047407 1.0 O O26 1 0.25000000 0.88078845 0.82477834 1.0 O O27 1 0.75000000 0.95418585 0.52184775 1.0