# CIF generated by HEAS from Alexandria entry agm001820587 data_agm001820587 _cell_length_a 16.81155 _cell_length_b 16.81155 _cell_length_c 16.81155 _cell_angle_alpha 109.47122 _cell_angle_beta 109.47122 _cell_angle_gamma 109.47122 _cell_volume 3657.64499 _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 Ga1 Ga 0.75000 0.37500 0.12500 1.00000 Ga2 Ga 0.87500 0.75000 0.12500 1.00000 Ga3 Ga 0.37500 0.75000 0.62500 1.00000 Ga4 Ga 0.25000 0.12500 0.37500 1.00000 Ga5 Ga 0.87500 0.12500 0.25000 1.00000 Ga6 Ga 0.37500 0.62500 0.25000 1.00000 Ga7 Ga 0.62500 0.37500 0.75000 1.00000 Ga8 Ga 0.12500 0.87500 0.75000 1.00000 Ga9 Ga 0.75000 0.87500 0.62500 1.00000 Ga10 Ga 0.62500 0.25000 0.37500 1.00000 Ga11 Ga 0.12500 0.25000 0.87500 1.00000 Ga12 Ga 0.25000 0.62500 0.87500 1.00000 Ca1 Ca 0.12500 0.37500 0.25000 1.00000 Ca2 Ca 0.00000 0.50000 0.00000 1.00000 Ca3 Ca 0.00000 0.00000 0.00000 1.00000 Ca4 Ca 0.37500 0.25000 0.12500 1.00000 Ca5 Ca 0.50000 0.00000 0.50000 1.00000 Ca6 Ca 0.50000 0.50000 0.00000 1.00000 Ca7 Ca 0.12500 0.75000 0.37500 1.00000 Ca8 Ca 0.75000 0.12500 0.87500 1.00000 Ca9 Ca 0.75000 0.62500 0.37500 1.00000 Ca10 Ca 0.37500 0.12500 0.75000 1.00000 Ca11 Ca 0.62500 0.87500 0.25000 1.00000 Ca12 Ca 0.50000 0.50000 0.50000 1.00000 Ca13 Ca 0.50000 0.00000 0.00000 1.00000 Ca14 Ca 0.00000 0.00000 0.50000 1.00000 Ca15 Ca 0.25000 0.37500 0.62500 1.00000 Ca16 Ca 0.25000 0.87500 0.12500 1.00000 Ca17 Ca 0.00000 0.50000 0.50000 1.00000 Ca18 Ca 0.87500 0.25000 0.62500 1.00000 Ca19 Ca 0.62500 0.75000 0.87500 1.00000 Ca20 Ca 0.87500 0.62500 0.75000 1.00000 I1 I 0.70971 0.12464 0.03578 1.00000 I2 I 0.32607 0.53578 0.41114 1.00000 I3 I 0.96422 0.37536 0.29029 1.00000 I4 I 0.53578 0.20971 0.12464 1.00000 I5 I 0.58507 0.70971 0.67393 1.00000 I6 I 0.96422 0.58886 0.17393 1.00000 I7 I 0.32607 0.79029 0.41493 1.00000 I8 I 0.08886 0.91493 0.12464 1.00000 I9 I 0.58886 0.96422 0.67393 1.00000 I10 I 0.70971 0.58507 0.17393 1.00000 I11 I 0.79029 0.46422 0.37536 1.00000 I12 I 0.82607 0.91114 0.03578 1.00000 I13 I 0.12464 0.70971 0.53578 1.00000 I14 I 0.37536 0.41114 0.08507 1.00000 I15 I 0.08507 0.91114 0.37536 1.00000 I16 I 0.41493 0.12464 0.58886 1.00000 I17 I 0.08507 0.17393 0.20971 1.00000 I18 I 0.46422 0.67393 0.08886 1.00000 I19 I 0.82607 0.91493 0.29029 1.00000 I20 I 0.12464 0.41493 0.08886 1.00000 I21 I 0.37536 0.96422 0.79029 1.00000 I22 I 0.58886 0.62464 0.41493 1.00000 I23 I 0.91114 0.82607 0.53578 1.00000 I24 I 0.79029 0.32607 0.91493 1.00000 I25 I 0.41114 0.37536 0.58507 1.00000 I26 I 0.08886 0.17393 0.46422 1.00000 I27 I 0.20971 0.67393 0.08507 1.00000 I28 I 0.17393 0.08507 0.70971 1.00000 I29 I 0.62464 0.03578 0.20971 1.00000 I30 I 0.87536 0.58507 0.91114 1.00000 I31 I 0.53578 0.32607 0.91114 1.00000 I32 I 0.58507 0.87536 0.41114 1.00000 I33 I 0.91493 0.82607 0.79029 1.00000 I34 I 0.91493 0.08886 0.62464 1.00000 I35 I 0.87536 0.29029 0.46422 1.00000 I36 I 0.17393 0.08886 0.96422 1.00000 I37 I 0.62464 0.58886 0.91493 1.00000 I38 I 0.41114 0.03578 0.32607 1.00000 I39 I 0.29029 0.41493 0.82607 1.00000 I40 I 0.20971 0.53578 0.62464 1.00000 I41 I 0.91114 0.08507 0.87536 1.00000 I42 I 0.67393 0.20971 0.58507 1.00000 I43 I 0.46422 0.79029 0.87536 1.00000 I44 I 0.03578 0.41114 0.82607 1.00000 I45 I 0.41493 0.29029 0.32607 1.00000 I46 I 0.03578 0.62464 0.70971 1.00000 I47 I 0.67393 0.46422 0.58886 1.00000 I48 I 0.29029 0.87536 0.96422 1.00000