# generated using pymatgen data_FeMoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36121800 _cell_length_b 5.81218100 _cell_length_c 6.28076000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeMoAs2 _chemical_formula_sum 'Fe2 Mo2 As4' _cell_volume 122.70097382 _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 0.25000000 0.50855600 0.31236100 1.0 Fe Fe1 1 0.25000000 0.00855600 0.18763900 1.0 Mo Mo2 1 0.75000000 0.49591400 0.69092100 1.0 Mo Mo3 1 0.75000000 0.99591400 0.80907900 1.0 As As4 1 0.75000000 0.30601100 0.08634000 1.0 As As5 1 0.75000000 0.80601100 0.41366000 1.0 As As6 1 0.25000000 0.68952000 0.94457100 1.0 As As7 1 0.25000000 0.18952000 0.55542900 1.0