# CIF generated by HEAS from Alexandria entry agm006308366 data_agm006308366 _cell_length_a 9.12462 _cell_length_b 9.12462 _cell_length_c 15.09747 _cell_angle_alpha 79.42979 _cell_angle_beta 79.42979 _cell_angle_gamma 75.10163 _cell_volume 1181.77695 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 Ca 0.60949 0.60949 0.74460 1.00000 Ca2 Ca 0.39051 0.39051 0.25540 1.00000 Mn1 Mn 0.98369 0.98369 0.81098 1.00000 Mn2 Mn 0.01631 0.01631 0.18902 1.00000 Mn3 Mn 0.23100 0.23100 0.65974 1.00000 Mn4 Mn 0.76900 0.76900 0.34026 1.00000 H1 H 0.73035 0.87392 0.62955 1.00000 H2 H 0.87392 0.73035 0.62955 1.00000 H3 H 0.26965 0.12608 0.37045 1.00000 H4 H 0.12608 0.26965 0.37045 1.00000 H5 H 0.33862 0.66249 0.64422 1.00000 H6 H 0.66249 0.33862 0.64422 1.00000 H7 H 0.66138 0.33751 0.35578 1.00000 H8 H 0.33751 0.66138 0.35578 1.00000 H9 H 0.43842 0.76988 0.58602 1.00000 H10 H 0.76988 0.43842 0.58602 1.00000 H11 H 0.56158 0.23012 0.41398 1.00000 H12 H 0.23012 0.56158 0.41398 1.00000 H13 H 0.34223 0.48586 0.85015 1.00000 H14 H 0.48586 0.34223 0.85015 1.00000 H15 H 0.65777 0.51414 0.14985 1.00000 H16 H 0.51414 0.65777 0.14985 1.00000 H17 H 0.39555 0.85025 0.85559 1.00000 H18 H 0.85025 0.39555 0.85559 1.00000 H19 H 0.60445 0.14975 0.14441 1.00000 H20 H 0.14975 0.60445 0.14441 1.00000 H21 H 0.55799 0.87962 0.85065 1.00000 H22 H 0.87962 0.55799 0.85065 1.00000 H23 H 0.44201 0.12038 0.14935 1.00000 H24 H 0.12038 0.44201 0.14935 1.00000 I1 I 0.05082 0.05082 0.62158 1.00000 I2 I 0.94918 0.94918 0.37842 1.00000 I3 I 0.16553 0.16553 0.84969 1.00000 I4 I 0.83447 0.83447 0.15031 1.00000 I5 I 0.68703 0.08233 0.88539 1.00000 I6 I 0.08233 0.68703 0.88539 1.00000 I7 I 0.31297 0.91767 0.11461 1.00000 I8 I 0.91767 0.31297 0.11461 1.00000 I9 I 0.14230 0.53567 0.59487 1.00000 I10 I 0.53567 0.14230 0.59487 1.00000 I11 I 0.85770 0.46433 0.40513 1.00000 I12 I 0.46433 0.85770 0.40513 1.00000 O1 O 0.76592 0.76592 0.65487 1.00000 O2 O 0.23408 0.23408 0.34513 1.00000 O3 O 0.41928 0.71428 0.64770 1.00000 O4 O 0.71428 0.41928 0.64770 1.00000 O5 O 0.58072 0.28572 0.35230 1.00000 O6 O 0.28572 0.58072 0.35230 1.00000 O7 O 0.44898 0.44898 0.82294 1.00000 O8 O 0.55102 0.55102 0.17706 1.00000 O9 O 0.50424 0.80664 0.83762 1.00000 O10 O 0.80664 0.50424 0.83762 1.00000 O11 O 0.49576 0.19336 0.16238 1.00000 O12 O 0.19336 0.49576 0.16238 1.00000