# generated using pymatgen data_Fe2AsP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15826800 _cell_length_b 5.30109900 _cell_length_c 5.91243900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2AsP _chemical_formula_sum 'Fe4 As2 P2' _cell_volume 98.98777625 _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 Fe Fe0 1 0.50000000 0.49687500 0.04343000 1.0 Fe Fe1 1 0.50000000 0.99687500 0.95657000 1.0 Fe Fe2 1 0.00000000 0.49498500 0.44177400 1.0 Fe Fe3 1 0.00000000 0.99498500 0.55822600 1.0 As As4 1 0.50000000 0.30725400 0.67927600 1.0 As As5 1 0.50000000 0.80725400 0.32072400 1.0 P P6 1 0.00000000 0.70088600 0.82426500 1.0 P P7 1 0.00000000 0.20088600 0.17573500 1.0