# generated using pymatgen data_MnCd4O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28088853 _cell_length_b 13.66119586 _cell_length_c 11.44570346 _cell_angle_alpha 98.35374829 _cell_angle_beta 89.99997322 _cell_angle_gamma 89.99978699 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCd4O5 _chemical_formula_sum 'Mn4 Cd16 O20' _cell_volume 507.56325098 _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 Mn Mn0 1 0.49999539 0.99991108 0.75091961 1.0 Mn Mn1 1 0.00000255 0.00009357 0.49903536 1.0 Mn Mn2 1 0.49999372 0.99991006 0.25091794 1.0 Mn Mn3 1 0.99998661 0.00009327 0.99906257 1.0 Cd Cd4 1 -0.00000436 0.19289642 0.69625672 1.0 Cd Cd5 1 0.00002065 0.19289622 0.19626995 1.0 Cd Cd6 1 0.50000830 0.19354057 0.44668672 1.0 Cd Cd7 1 0.49999216 0.19353496 0.94669330 1.0 Cd Cd8 1 0.49999696 0.80712875 0.05371866 1.0 Cd Cd9 1 0.50000333 0.80713152 0.55371715 1.0 Cd Cd10 1 0.99999243 0.80645141 0.80331705 1.0 Cd Cd11 1 -0.00000246 0.80644736 0.30330960 1.0 Cd Cd12 1 0.00001040 0.39772667 0.89907101 1.0 Cd Cd13 1 0.00001075 0.39773544 0.39907082 1.0 Cd Cd14 1 0.50001423 0.39786546 0.64934645 1.0 Cd Cd15 1 0.49998940 0.39785982 0.14935103 1.0 Cd Cd16 1 0.50000468 0.60225636 0.85089097 1.0 Cd Cd17 1 0.50000242 0.60226100 0.35089219 1.0 Cd Cd18 1 0.00001026 0.60217236 0.60075727 1.0 Cd Cd19 1 0.00000390 0.60216125 0.10074924 1.0 O O20 1 0.00000585 0.50006156 0.75009271 1.0 O O21 1 0.00000205 0.50005649 0.25008799 1.0 O O22 1 0.50001566 0.49993133 0.49995521 1.0 O O23 1 0.50000421 0.49991781 0.99994773 1.0 O O24 1 0.49998277 0.91377303 0.90632551 1.0 O O25 1 0.49999894 0.91376562 0.40632011 1.0 O O26 1 0.00000167 0.91409948 0.65702488 1.0 O O27 1 0.99999032 0.91408781 0.15702218 1.0 O O28 1 0.99997527 0.08630975 0.84361421 1.0 O O29 1 0.99998339 0.08631432 0.34361495 1.0 O O30 1 0.50000138 0.08580314 0.59295945 1.0 O O31 1 0.49998252 0.08580344 0.09296900 1.0 O O32 1 -0.00000067 0.70597996 0.95214233 1.0 O O33 1 0.00000282 0.70598481 0.45214612 1.0 O O34 1 0.50000233 0.70571046 0.70189750 1.0 O O35 1 0.50000180 0.70569736 0.20188814 1.0 O O36 1 0.50000729 0.29399962 0.79786054 1.0 O O37 1 0.50000431 0.29400673 0.29786378 1.0 O O38 1 0.00001744 0.29431800 0.54811632 1.0 O O39 1 0.99999134 0.29430375 0.04811871 1.0