# generated using pymatgen data_TlCuAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07869825 _cell_length_b 5.07869825 _cell_length_c 18.53195308 _cell_angle_alpha 87.20461490 _cell_angle_beta 87.20461490 _cell_angle_gamma 91.46749399 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCuAsO4 _chemical_formula_sum 'Tl4 Cu4 As4 O16' _cell_volume 476.67333299 _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 0.20060800 0.79209200 0.56140200 1.0 Tl Tl1 1 0.20790800 0.79939200 0.93859800 1.0 Tl Tl2 1 0.79939200 0.20790800 0.43859800 1.0 Tl Tl3 1 0.79209200 0.20060800 0.06140200 1.0 Cu Cu4 1 0.66833700 0.83412800 0.74944800 1.0 Cu Cu5 1 0.16587200 0.33166300 0.75055200 1.0 Cu Cu6 1 0.33166300 0.16587200 0.25055200 1.0 Cu Cu7 1 0.83412800 0.66833700 0.24944800 1.0 As As8 1 0.69054800 0.35581000 0.64739700 1.0 As As9 1 0.64419000 0.30945200 0.85260300 1.0 As As10 1 0.30945200 0.64419000 0.35260300 1.0 As As11 1 0.35581000 0.69054800 0.14739700 1.0 O O12 1 0.86274600 0.52804900 0.71369000 1.0 O O13 1 0.47195100 0.13725400 0.78631000 1.0 O O14 1 0.13725400 0.47195100 0.28631000 1.0 O O15 1 0.52804900 0.86274600 0.21369000 1.0 O O16 1 0.20730900 0.52922400 0.43696600 1.0 O O17 1 0.47077600 0.79269100 0.06303400 1.0 O O18 1 0.79269100 0.47077600 0.56303400 1.0 O O19 1 0.52922400 0.20730900 0.93696600 1.0 O O20 1 0.35870500 0.42623500 0.66097500 1.0 O O21 1 0.57376500 0.64129500 0.83902500 1.0 O O22 1 0.64129500 0.57376500 0.33902500 1.0 O O23 1 0.42623500 0.35870500 0.16097500 1.0 O O24 1 0.76007600 0.02508700 0.65968300 1.0 O O25 1 0.97491300 0.23992400 0.84031700 1.0 O O26 1 0.23992400 0.97491300 0.34031700 1.0 O O27 1 0.02508700 0.76007600 0.15968300 1.0