# generated using pymatgen data_Mn5As4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79286950 _cell_length_b 6.79286950 _cell_length_c 11.87289100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.27267346 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn5As4 _chemical_formula_sum 'Mn10 As8' _cell_volume 271.66481447 _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 Mn Mn0 1 0.97684000 0.02316000 0.29455600 1.0 Mn Mn1 1 0.02316000 0.97684000 0.79455600 1.0 Mn Mn2 1 0.83133600 0.16866400 0.86953000 1.0 Mn Mn3 1 0.16866400 0.83133600 0.36953000 1.0 Mn Mn4 1 0.62880900 0.37119100 0.01669400 1.0 Mn Mn5 1 0.37119100 0.62880900 0.51669400 1.0 Mn Mn6 1 0.55964000 0.44036000 0.62673700 1.0 Mn Mn7 1 0.44036000 0.55964000 0.12673700 1.0 Mn Mn8 1 0.22215700 0.77784300 0.68073600 1.0 Mn Mn9 1 0.77784300 0.22215700 0.18073600 1.0 As As10 1 0.98977100 0.01022900 0.99640500 1.0 As As11 1 0.01022900 0.98977100 0.49640500 1.0 As As12 1 0.72948700 0.27051300 0.52524200 1.0 As As13 1 0.27051300 0.72948700 0.02524200 1.0 As As14 1 0.65514200 0.34485800 0.80716800 1.0 As As15 1 0.34485800 0.65514200 0.30716800 1.0 As As16 1 0.39978900 0.60021100 0.73203100 1.0 As As17 1 0.60021100 0.39978900 0.23203100 1.0