# generated using pymatgen data_LiMnCo4As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67201094 _cell_length_b 10.49245414 _cell_length_c 12.21204662 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnCo4As3 _chemical_formula_sum 'Li4 Mn4 Co16 As12' _cell_volume 470.51069513 _cell_formula_units_Z 4 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 Li Li0 1 0.25000000 0.57488304 0.70885759 1.0 Li Li1 1 0.25000000 0.92511696 0.20885759 1.0 Li Li2 1 0.75000000 0.42511696 0.29114241 1.0 Li Li3 1 0.75000000 0.07488304 0.79114241 1.0 Mn Mn4 1 0.25000000 0.70434756 0.98865189 1.0 Mn Mn5 1 0.25000000 0.79565244 0.48865189 1.0 Mn Mn6 1 0.75000000 0.29565244 0.01134811 1.0 Mn Mn7 1 0.75000000 0.20434756 0.51134811 1.0 Co Co8 1 0.25000000 0.40653901 0.48851424 1.0 Co Co9 1 0.25000000 0.09346099 0.98851424 1.0 Co Co10 1 0.75000000 0.59346099 0.51148576 1.0 Co Co11 1 0.75000000 0.90653901 0.01148576 1.0 Co Co12 1 0.25000000 0.21613273 0.16972956 1.0 Co Co13 1 0.25000000 0.28386727 0.66972956 1.0 Co Co14 1 0.75000000 0.78386727 0.83027044 1.0 Co Co15 1 0.75000000 0.71613273 0.33027044 1.0 Co Co16 1 0.25000000 0.87521420 0.69857676 1.0 Co Co17 1 0.25000000 0.62478580 0.19857676 1.0 Co Co18 1 0.75000000 0.12478580 0.30142324 1.0 Co Co19 1 0.75000000 0.37521420 0.80142324 1.0 Co Co20 1 0.25000000 0.45837263 0.93304088 1.0 Co Co21 1 0.25000000 0.04162737 0.43304088 1.0 Co Co22 1 0.75000000 0.54162737 0.06695912 1.0 Co Co23 1 0.75000000 0.95837263 0.56695912 1.0 As As24 1 0.25000000 0.42450916 0.12175242 1.0 As As25 1 0.25000000 0.07549084 0.62175242 1.0 As As26 1 0.75000000 0.57549084 0.87824758 1.0 As As27 1 0.75000000 0.92450916 0.37824758 1.0 As As28 1 0.25000000 0.25511748 0.85697643 1.0 As As29 1 0.25000000 0.24488252 0.35697643 1.0 As As30 1 0.75000000 0.74488252 0.14302357 1.0 As As31 1 0.75000000 0.75511748 0.64302357 1.0 As As32 1 0.25000000 0.58735233 0.38304367 1.0 As As33 1 0.25000000 0.91264767 0.88304367 1.0 As As34 1 0.75000000 0.41264767 0.61695633 1.0 As As35 1 0.75000000 0.08735233 0.11695633 1.0