# generated using pymatgen data_Ca6MnAl11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71038124 _cell_length_b 5.71038124 _cell_length_c 54.15496500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999120 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6MnAl11 _chemical_formula_sum 'Ca24 Mn4 Al44' _cell_volume 1529.32277943 _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 Ca Ca0 1 0.00000000 0.00000000 0.13535800 1.0 Ca Ca1 1 0.00000000 0.00000000 0.46879700 1.0 Ca Ca2 1 0.00000000 0.00000000 0.80213100 1.0 Ca Ca3 1 0.00000000 0.00000000 0.19800100 1.0 Ca Ca4 1 0.00000000 0.00000000 0.53079600 1.0 Ca Ca5 1 0.00000000 0.00000000 0.86412100 1.0 Ca Ca6 1 0.00000000 0.00000000 0.30212700 1.0 Ca Ca7 1 0.00000000 0.00000000 0.63640200 1.0 Ca Ca8 1 0.00000000 0.00000000 0.96972900 1.0 Ca Ca9 1 0.00000000 0.00000000 0.03128900 1.0 Ca Ca10 1 0.00000000 0.00000000 0.36461900 1.0 Ca Ca11 1 0.00000000 0.00000000 0.69801400 1.0 Ca Ca12 1 0.66666700 0.33333300 0.28128400 1.0 Ca Ca13 1 0.66666700 0.33333300 0.61458900 1.0 Ca Ca14 1 0.66666700 0.33333300 0.94789500 1.0 Ca Ca15 1 0.33333300 0.66666700 0.05188900 1.0 Ca Ca16 1 0.33333300 0.66666700 0.38540600 1.0 Ca Ca17 1 0.33333300 0.66666700 0.71856900 1.0 Ca Ca18 1 0.33333300 0.66666700 0.11480800 1.0 Ca Ca19 1 0.33333300 0.66666700 0.44811200 1.0 Ca Ca20 1 0.33333300 0.66666700 0.78141100 1.0 Ca Ca21 1 0.66666700 0.33333300 0.21849300 1.0 Ca Ca22 1 0.66666700 0.33333300 0.55229900 1.0 Ca Ca23 1 0.66666700 0.33333300 0.88561200 1.0 Mn Mn24 1 0.66666700 0.33333300 0.12528500 1.0 Mn Mn25 1 0.66666700 0.33333300 0.45789100 1.0 Mn Mn26 1 0.66666700 0.33333300 0.79123600 1.0 Mn Mn27 1 0.33333300 0.66666700 0.20801200 1.0 Al Al28 1 0.83280000 0.66559900 0.08450200 1.0 Al Al29 1 0.83277100 0.66554300 0.41785600 1.0 Al Al30 1 0.83274800 0.66549700 0.75117600 1.0 Al Al31 1 0.83280000 0.16720000 0.08450200 1.0 Al Al32 1 0.83277100 0.16722900 0.41785600 1.0 Al Al33 1 0.83274800 0.16725200 0.75117600 1.0 Al Al34 1 0.33440100 0.16720000 0.08450200 1.0 Al Al35 1 0.33445700 0.16722900 0.41785600 1.0 Al Al36 1 0.33450300 0.16725200 0.75117600 1.0 Al Al37 1 0.16738600 0.33477100 0.24876300 1.0 Al Al38 1 0.16246900 0.32493900 0.58333600 1.0 Al Al39 1 0.16243500 0.32487100 0.91667400 1.0 Al Al40 1 0.16738600 0.83261400 0.24876300 1.0 Al Al41 1 0.16246900 0.83753100 0.58333600 1.0 Al Al42 1 0.16243500 0.83756500 0.91667400 1.0 Al Al43 1 0.66522900 0.83261400 0.24876300 1.0 Al Al44 1 0.67506100 0.83753100 0.58333600 1.0 Al Al45 1 0.67512900 0.83756500 0.91667400 1.0 Al Al46 1 0.49990300 0.99980600 0.16672700 1.0 Al Al47 1 0.50289300 0.00578600 0.49883900 1.0 Al Al48 1 0.50305400 0.00610900 0.83219500 1.0 Al Al49 1 0.49990300 0.50009700 0.16672700 1.0 Al Al50 1 0.50289300 0.49710700 0.49883900 1.0 Al Al51 1 0.50305400 0.49694600 0.83219500 1.0 Al Al52 1 0.00019400 0.50009700 0.16672700 1.0 Al Al53 1 0.99421400 0.49710700 0.49883900 1.0 Al Al54 1 0.99389100 0.49694600 0.83219500 1.0 Al Al55 1 0.50059400 0.00118800 0.99989300 1.0 Al Al56 1 0.49993400 0.99986800 0.33334300 1.0 Al Al57 1 0.50056500 0.00112900 0.66656500 1.0 Al Al58 1 0.49993400 0.50006600 0.33334300 1.0 Al Al59 1 0.50056500 0.49943500 0.66656500 1.0 Al Al60 1 0.50059400 0.49940600 0.99989300 1.0 Al Al61 1 0.99881200 0.49940600 0.99989300 1.0 Al Al62 1 0.00013200 0.50006600 0.33334300 1.0 Al Al63 1 0.99887100 0.49943500 0.66656500 1.0 Al Al64 1 0.33333300 0.66666700 0.54144500 1.0 Al Al65 1 0.33333300 0.66666700 0.87475400 1.0 Al Al66 1 0.33333300 0.66666700 0.29033500 1.0 Al Al67 1 0.33333300 0.66666700 0.62377900 1.0 Al Al68 1 0.33333300 0.66666700 0.95710000 1.0 Al Al69 1 0.66666700 0.33333300 0.04293700 1.0 Al Al70 1 0.66666700 0.33333300 0.37629500 1.0 Al Al71 1 0.66666700 0.33333300 0.70956800 1.0