# generated using pymatgen data_ZrTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01694208 _cell_length_b 5.95521052 _cell_length_c 10.47759706 _cell_angle_alpha 82.54473882 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTe3 _chemical_formula_sum 'Zr2 Te6' _cell_volume 248.52349809 _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 Zr Zr0 1 0.25000000 0.71401858 0.65950813 1.0 Zr Zr1 1 0.75000000 0.28598142 0.34049187 1.0 Te Te2 1 0.75000000 0.44178030 0.82145643 1.0 Te Te3 1 0.75000000 0.76252433 0.44896820 1.0 Te Te4 1 0.25000000 0.55821970 0.17854357 1.0 Te Te5 1 0.25000000 0.09635657 0.17164224 1.0 Te Te6 1 0.75000000 0.90364343 0.82835776 1.0 Te Te7 1 0.25000000 0.23747567 0.55103180 1.0