# generated using pymatgen data_CrPO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04468446 _cell_length_b 6.04468446 _cell_length_c 24.12640620 _cell_angle_alpha 86.76732787 _cell_angle_beta 86.76732787 _cell_angle_gamma 80.38654690 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrPO10 _chemical_formula_sum 'Cr4 P4 O40' _cell_volume 866.78458977 _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 Cr Cr0 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr2 1 0.80918300 0.19081700 0.75000000 1.0 Cr Cr3 1 0.19081700 0.80918300 0.25000000 1.0 P P4 1 0.58272600 0.69878100 0.61580800 1.0 P P5 1 0.30121900 0.41727400 0.88419200 1.0 P P6 1 0.41727400 0.30121900 0.38419200 1.0 P P7 1 0.69878100 0.58272600 0.11580800 1.0 O O8 1 0.20408000 0.16389500 0.52080600 1.0 O O9 1 0.83610500 0.79592000 0.97919400 1.0 O O10 1 0.79592000 0.83610500 0.47919400 1.0 O O11 1 0.16389500 0.20408000 0.02080600 1.0 O O12 1 0.87388700 0.08445800 0.56766900 1.0 O O13 1 0.91554200 0.12611300 0.93233100 1.0 O O14 1 0.12611300 0.91554200 0.43233100 1.0 O O15 1 0.08445800 0.87388700 0.06766900 1.0 O O16 1 0.90994400 0.25971300 0.46008500 1.0 O O17 1 0.74028700 0.09005600 0.03991500 1.0 O O18 1 0.09005600 0.74028700 0.53991500 1.0 O O19 1 0.25971300 0.90994400 0.96008500 1.0 O O20 1 0.82162800 0.43598100 0.77723300 1.0 O O21 1 0.56401900 0.17837200 0.72276700 1.0 O O22 1 0.17837200 0.56401900 0.22276700 1.0 O O23 1 0.43598100 0.82162800 0.27723300 1.0 O O24 1 0.19656700 0.71478900 0.73308800 1.0 O O25 1 0.28521100 0.80343300 0.76691200 1.0 O O26 1 0.80343300 0.28521100 0.26691200 1.0 O O27 1 0.71478900 0.19656700 0.23308800 1.0 O O28 1 0.02019100 0.16400200 0.70234300 1.0 O O29 1 0.83599800 0.97980900 0.79765700 1.0 O O30 1 0.97980900 0.83599800 0.29765700 1.0 O O31 1 0.16400200 0.02019100 0.20234300 1.0 O O32 1 0.45692000 0.56492000 0.66021100 1.0 O O33 1 0.43508000 0.54308000 0.83978900 1.0 O O34 1 0.54308000 0.43508000 0.33978900 1.0 O O35 1 0.56492000 0.45692000 0.16021100 1.0 O O36 1 0.58251800 0.58469700 0.56028400 1.0 O O37 1 0.41530300 0.41748200 0.93971600 1.0 O O38 1 0.41748200 0.41530300 0.43971600 1.0 O O39 1 0.58469700 0.58251800 0.06028400 1.0 O O40 1 0.82383600 0.68014500 0.63617900 1.0 O O41 1 0.31985500 0.17616400 0.86382100 1.0 O O42 1 0.17616400 0.31985500 0.36382100 1.0 O O43 1 0.68014500 0.82383600 0.13617900 1.0 O O44 1 0.47544600 0.94742200 0.60887100 1.0 O O45 1 0.05257800 0.52455400 0.89112900 1.0 O O46 1 0.52455400 0.05257800 0.39112900 1.0 O O47 1 0.94742200 0.47544600 0.10887100 1.0