# generated using pymatgen data_Ca4La4Mn7NiO24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47686100 _cell_length_b 9.45473636 _cell_length_c 9.46551445 _cell_angle_alpha 70.72145259 _cell_angle_beta 89.92779246 _cell_angle_gamma 89.95948884 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4La4Mn7NiO24 _chemical_formula_sum 'Ca4 La4 Mn7 Ni1 O24' _cell_volume 462.66039148 _cell_formula_units_Z 1 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 0.46825300 0.61973200 0.13384900 1.0 Ca Ca1 1 0.53323300 0.87929900 0.36733500 1.0 Ca Ca2 1 0.96941500 0.88038400 0.87167400 1.0 Ca Ca3 1 0.96817900 0.38115900 0.36998000 1.0 La La4 1 0.02009500 0.62301200 0.62404600 1.0 La La5 1 0.02248200 0.12067000 0.12718500 1.0 La La6 1 0.47777200 0.12361300 0.62900100 1.0 La La7 1 0.52242900 0.37630300 0.87237600 1.0 Mn Mn8 1 0.00104800 0.00183500 0.49968800 1.0 Mn Mn9 1 0.99997500 0.50294600 0.00405400 1.0 Mn Mn10 1 0.49990000 0.75205800 0.75197800 1.0 Mn Mn11 1 0.50014600 0.25194000 0.25172200 1.0 Mn Mn12 1 0.49931400 0.99143800 0.00058900 1.0 Mn Mn13 1 0.50090900 0.50454000 0.49640800 1.0 Mn Mn14 1 0.00122600 0.74763000 0.24776700 1.0 Ni Ni15 1 0.00085200 0.24839100 0.74808600 1.0 O O16 1 0.01186500 0.15986600 0.58132500 1.0 O O17 1 0.02176400 0.66730400 0.08470300 1.0 O O18 1 0.23424400 0.08649800 0.87491200 1.0 O O19 1 0.21548500 0.59037600 0.36880300 1.0 O O20 1 0.22376800 0.88297400 0.66100300 1.0 O O21 1 0.22141400 0.37943100 0.15758900 1.0 O O22 1 0.28116300 0.38813400 0.64996700 1.0 O O23 1 0.27890000 0.08896000 0.36898500 1.0 O O24 1 0.27250600 0.59411600 0.86317100 1.0 O O25 1 0.27636500 0.88097900 0.16333300 1.0 O O26 1 0.49077700 0.66499900 0.58567400 1.0 O O27 1 0.49395300 0.15657100 0.09130200 1.0 O O28 1 0.52013700 0.83275200 0.91759500 1.0 O O29 1 0.51445600 0.34103200 0.41066400 1.0 O O30 1 0.71909600 0.11302700 0.85236000 1.0 O O31 1 0.72809400 0.90606900 0.63498700 1.0 O O32 1 0.72462900 0.61971300 0.33819100 1.0 O O33 1 0.72120100 0.40862700 0.12920400 1.0 O O34 1 0.77069700 0.61525800 0.84189800 1.0 O O35 1 0.77447500 0.11694500 0.34496900 1.0 O O36 1 0.76181800 0.40956300 0.62877800 1.0 O O37 1 0.77884000 0.90561100 0.13451100 1.0 O O38 1 0.99443600 0.34657100 0.91199000 1.0 O O39 1 0.98468300 0.83967100 0.40834900 1.0