# generated using pymatgen data_CoAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95108200 _cell_length_b 5.89093100 _cell_length_c 10.42176900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAsO4 _chemical_formula_sum 'Co4 As4 O16' _cell_volume 303.96634250 _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 Co Co0 1 0.42864400 0.75000000 0.72020500 1.0 Co Co1 1 0.57135600 0.25000000 0.27979500 1.0 Co Co2 1 0.92864400 0.25000000 0.77979500 1.0 Co Co3 1 0.07135600 0.75000000 0.22020500 1.0 As As4 1 0.90986700 0.75000000 0.90766800 1.0 As As5 1 0.09013300 0.25000000 0.09233200 1.0 As As6 1 0.40986700 0.25000000 0.59233200 1.0 As As7 1 0.59013300 0.75000000 0.40766800 1.0 O O8 1 0.66021000 0.75000000 0.56705200 1.0 O O9 1 0.33979000 0.25000000 0.43294800 1.0 O O10 1 0.16021000 0.25000000 0.93294800 1.0 O O11 1 0.83979000 0.75000000 0.06705200 1.0 O O12 1 0.74321100 0.96988300 0.82517700 1.0 O O13 1 0.25678900 0.03011700 0.17482300 1.0 O O14 1 0.24321100 0.03011700 0.67482300 1.0 O O15 1 0.25678900 0.46988300 0.17482300 1.0 O O16 1 0.75678900 0.96988300 0.32517700 1.0 O O17 1 0.74321100 0.53011700 0.82517700 1.0 O O18 1 0.75678900 0.53011700 0.32517700 1.0 O O19 1 0.24321100 0.46988300 0.67482300 1.0 O O20 1 0.25098200 0.75000000 0.88418700 1.0 O O21 1 0.74901800 0.25000000 0.11581300 1.0 O O22 1 0.75098200 0.25000000 0.61581300 1.0 O O23 1 0.24901800 0.75000000 0.38418700 1.0