# generated using pymatgen data_Mn4As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74080040 _cell_length_b 6.74080040 _cell_length_c 9.39959344 _cell_angle_alpha 76.64625647 _cell_angle_beta 76.64625647 _cell_angle_gamma 30.40146353 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn4As3 _chemical_formula_sum 'Mn8 As6' _cell_volume 209.85598569 _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 0.78276400 0.78276400 0.16595200 1.0 Mn Mn1 1 0.21723600 0.21723600 0.83404800 1.0 Mn Mn2 1 0.65694200 0.65694200 0.54976700 1.0 Mn Mn3 1 0.34305800 0.34305800 0.45023300 1.0 Mn Mn4 1 0.56783900 0.56783900 0.28763600 1.0 Mn Mn5 1 0.43216100 0.43216100 0.71236400 1.0 Mn Mn6 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn7 1 0.00000000 0.00000000 0.00000000 1.0 As As8 1 0.93751900 0.93751900 0.27329300 1.0 As As9 1 0.06248100 0.06248100 0.72670700 1.0 As As10 1 0.81347900 0.81347900 0.65341600 1.0 As As11 1 0.18652100 0.18652100 0.34658400 1.0 As As12 1 0.63835300 0.63835300 0.02077000 1.0 As As13 1 0.36164700 0.36164700 0.97923000 1.0