# generated using pymatgen data_CoPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34208240 _cell_length_b 9.34208240 _cell_length_c 15.50079199 _cell_angle_alpha 64.36248438 _cell_angle_beta 64.36248438 _cell_angle_gamma 30.88831792 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPO4 _chemical_formula_sum 'Co8 P8 O32' _cell_volume 620.59268193 _cell_formula_units_Z 8 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 0.40553900 0.79303700 0.02722800 1.0 Co Co1 1 0.20696300 0.59446100 0.47277200 1.0 Co Co2 1 0.59446100 0.20696300 0.97277200 1.0 Co Co3 1 0.00000000 0.50000000 0.00000000 1.0 Co Co4 1 0.79303700 0.40553900 0.52722800 1.0 Co Co5 1 0.67748500 0.32251500 0.75000000 1.0 Co Co6 1 0.32251500 0.67748500 0.25000000 1.0 Co Co7 1 0.50000000 0.00000000 0.50000000 1.0 P P8 1 0.48131500 0.94812600 0.13410700 1.0 P P9 1 0.80645300 0.22366500 0.38024200 1.0 P P10 1 0.51868500 0.05187400 0.86589300 1.0 P P11 1 0.22366500 0.80645300 0.88024200 1.0 P P12 1 0.94812600 0.48131500 0.63410700 1.0 P P13 1 0.05187400 0.51868500 0.36589300 1.0 P P14 1 0.19354700 0.77633500 0.61975800 1.0 P P15 1 0.77633500 0.19354700 0.11975800 1.0 O O16 1 0.19640200 0.29711300 0.90141600 1.0 O O17 1 0.70542800 0.15060900 0.06752900 1.0 O O18 1 0.29711300 0.19640200 0.40141600 1.0 O O19 1 0.61125100 0.24176800 0.45020900 1.0 O O20 1 0.65796500 0.78713200 0.94600400 1.0 O O21 1 0.67582500 0.43299700 0.28881000 1.0 O O22 1 0.75823200 0.38874900 0.04979100 1.0 O O23 1 0.91194100 0.09899200 0.86109600 1.0 O O24 1 0.38874900 0.75823200 0.54979100 1.0 O O25 1 0.84939100 0.29457200 0.43247100 1.0 O O26 1 0.62821500 0.11223600 0.87110500 1.0 O O27 1 0.00132700 0.41048700 0.73305100 1.0 O O28 1 0.29457200 0.84939100 0.93247100 1.0 O O29 1 0.09899200 0.91194100 0.36109600 1.0 O O30 1 0.80359800 0.70288700 0.09858400 1.0 O O31 1 0.37178500 0.88776400 0.12889500 1.0 O O32 1 0.41048700 0.00132700 0.23305100 1.0 O O33 1 0.24176800 0.61125100 0.95020900 1.0 O O34 1 0.11223600 0.62821500 0.37110500 1.0 O O35 1 0.99867300 0.58951300 0.26694900 1.0 O O36 1 0.90100800 0.08805900 0.63890400 1.0 O O37 1 0.78713200 0.65796500 0.44600400 1.0 O O38 1 0.08805900 0.90100800 0.13890400 1.0 O O39 1 0.43299700 0.67582500 0.78881000 1.0 O O40 1 0.15060900 0.70542800 0.56752900 1.0 O O41 1 0.70288700 0.80359800 0.59858400 1.0 O O42 1 0.58951300 0.99867300 0.76694900 1.0 O O43 1 0.21286800 0.34203500 0.55399600 1.0 O O44 1 0.34203500 0.21286800 0.05399600 1.0 O O45 1 0.56700300 0.32417500 0.21119000 1.0 O O46 1 0.32417500 0.56700300 0.71119000 1.0 O O47 1 0.88776400 0.37178500 0.62889500 1.0