# generated using pymatgen data_CrNiPO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29651140 _cell_length_b 5.29651968 _cell_length_c 7.09701921 _cell_angle_alpha 68.35010804 _cell_angle_beta 68.35013764 _cell_angle_gamma 90.13740438 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrNiPO5 _chemical_formula_sum 'Cr2 Ni2 P2 O10' _cell_volume 169.76910704 _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 Cr Cr0 1 0.49999759 0.49999944 0.00000437 1.0 Cr Cr1 1 0.99999661 0.99999954 0.50000431 1.0 Ni Ni2 1 0.50000584 0.00000356 0.49999517 1.0 Ni Ni3 1 0.49999558 0.00000731 0.99998933 1.0 P P4 1 0.87725380 0.62275897 0.24996532 1.0 P P5 1 0.12273075 0.37724425 0.75003661 1.0 O O6 1 0.63602843 0.86394447 0.75000943 1.0 O O7 1 0.36396644 0.13605942 0.24998526 1.0 O O8 1 0.31208304 0.32125595 0.87467828 1.0 O O9 1 0.82125082 0.81206117 0.37470129 1.0 O O10 1 0.68792871 0.67874866 0.12532190 1.0 O O11 1 0.17875266 0.18792132 0.62530750 1.0 O O12 1 0.80972498 0.31541523 0.39940542 1.0 O O13 1 0.81543727 0.30972344 0.89938260 1.0 O O14 1 0.19028237 0.68457923 0.60059342 1.0 O O15 1 0.18456610 0.69027905 0.10062078 1.0