# generated using pymatgen data_ZrCr5P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65400300 _cell_length_b 6.88822700 _cell_length_c 9.35477804 _cell_angle_alpha 79.78412096 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCr5P3 _chemical_formula_sum 'Zr2 Cr10 P6' _cell_volume 231.72323719 _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 Zr Zr0 1 0.75000000 0.80847800 0.77911100 1.0 Zr Zr1 1 0.25000000 0.19152200 0.22088900 1.0 Cr Cr2 1 0.75000000 0.31421900 0.72346600 1.0 Cr Cr3 1 0.25000000 0.45879200 0.92478200 1.0 Cr Cr4 1 0.25000000 0.08506400 0.91573800 1.0 Cr Cr5 1 0.75000000 0.91493600 0.08426200 1.0 Cr Cr6 1 0.25000000 0.37286900 0.49084000 1.0 Cr Cr7 1 0.75000000 0.62713100 0.50916000 1.0 Cr Cr8 1 0.75000000 0.13488100 0.49367900 1.0 Cr Cr9 1 0.25000000 0.86511900 0.50632100 1.0 Cr Cr10 1 0.75000000 0.54120800 0.07521800 1.0 Cr Cr11 1 0.25000000 0.68578100 0.27653400 1.0 P P12 1 0.75000000 0.90835900 0.33179000 1.0 P P13 1 0.25000000 0.09164100 0.66821000 1.0 P P14 1 0.75000000 0.43733700 0.32449400 1.0 P P15 1 0.25000000 0.56266300 0.67550600 1.0 P P16 1 0.75000000 0.24668600 0.98717200 1.0 P P17 1 0.25000000 0.75331400 0.01282800 1.0