# generated using pymatgen data_TlAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79122450 _cell_length_b 6.79122450 _cell_length_c 6.79122450 _cell_angle_alpha 137.52818992 _cell_angle_beta 137.52818992 _cell_angle_gamma 61.62637137 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAsO4 _chemical_formula_sum 'Tl2 As2 O8' _cell_volume 141.16772714 _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 Tl Tl0 1 0.50000000 0.50000000 -0.00000000 1.0 Tl Tl1 1 0.25000000 0.75000000 0.50000000 1.0 As As2 1 0.00000000 0.00000000 -0.00000000 1.0 As As3 1 0.75000000 0.25000000 0.50000000 1.0 O O4 1 0.67331362 0.08206426 0.90983050 1.0 O O5 1 0.57776623 0.48651388 0.40983050 1.0 O O6 1 0.51348612 0.92331362 0.09125135 1.0 O O7 1 0.91793574 0.82776623 0.59125135 1.0 O O8 1 0.23651388 0.32668638 0.40874865 1.0 O O9 1 0.83206426 0.42223377 0.90874865 1.0 O O10 1 0.07668638 0.16793574 0.59016950 1.0 O O11 1 0.17223377 0.76348612 0.09016950 1.0