# generated using pymatgen data_Tl3(MoO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14560384 _cell_length_b 6.14560384 _cell_length_c 16.16780500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999827 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl3(MoO4)2 _chemical_formula_sum 'Tl6 Mo4 O16' _cell_volume 528.82359479 _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 0.33333300 0.66666700 0.04497400 1.0 Tl Tl1 1 0.00000000 0.00000000 0.01783200 1.0 Tl Tl2 1 0.00000000 0.00000000 0.25494100 1.0 Tl Tl3 1 0.00000000 0.00000000 0.51783200 1.0 Tl Tl4 1 0.00000000 0.00000000 0.75494100 1.0 Tl Tl5 1 0.66666700 0.33333300 0.54497400 1.0 Mo Mo6 1 0.33333300 0.66666700 0.41286600 1.0 Mo Mo7 1 0.66666700 0.33333300 0.91286600 1.0 Mo Mo8 1 0.66666700 0.33333300 0.16553600 1.0 Mo Mo9 1 0.33333300 0.66666700 0.66553600 1.0 O O10 1 0.50627500 0.49372500 0.95047200 1.0 O O11 1 0.82996900 0.17003100 0.13067800 1.0 O O12 1 0.98744900 0.49372500 0.95047200 1.0 O O13 1 0.82996900 0.65993900 0.13067800 1.0 O O14 1 0.17003100 0.82996900 0.63067800 1.0 O O15 1 0.01255100 0.50627500 0.45047200 1.0 O O16 1 0.33333300 0.66666700 0.30422300 1.0 O O17 1 0.33333300 0.66666700 0.77297600 1.0 O O18 1 0.17003100 0.34006100 0.63067800 1.0 O O19 1 0.49372500 0.98744900 0.45047200 1.0 O O20 1 0.49372500 0.50627500 0.45047200 1.0 O O21 1 0.65993900 0.82996900 0.63067800 1.0 O O22 1 0.34006100 0.17003100 0.13067800 1.0 O O23 1 0.66666700 0.33333300 0.27297600 1.0 O O24 1 0.50627500 0.01255100 0.95047200 1.0 O O25 1 0.66666700 0.33333300 0.80422300 1.0