# CIF generated by HEAS from Alexandria entry agm073026257 data_agm073026257 _cell_length_a 11.99335 _cell_length_b 11.99335 _cell_length_c 11.99335 _cell_angle_alpha 109.47122 _cell_angle_beta 109.47122 _cell_angle_gamma 109.47122 _cell_volume 1328.00379 _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 0.89002 0.92518 0.72572 1.00000 Ca2 Ca 0.25000 0.12500 0.87500 1.00000 Ca3 Ca 0.57482 0.46484 0.80054 1.00000 Ca4 Ca 0.46484 0.80054 0.57482 1.00000 Ca5 Ca 0.16430 0.77428 0.69946 1.00000 Ca6 Ca 0.53516 0.83570 0.10998 1.00000 Ca7 Ca 0.60998 0.33570 0.03516 1.00000 Ca8 Ca 0.30054 0.96484 0.07482 1.00000 Ca9 Ca 0.83570 0.10998 0.53516 1.00000 Ca10 Ca 0.33570 0.03516 0.60998 1.00000 Ca11 Ca 0.72572 0.89002 0.92518 1.00000 Ca12 Ca 0.39002 0.22572 0.42518 1.00000 Ca13 Ca 0.12500 0.87500 0.25000 1.00000 Ca14 Ca 0.92518 0.72572 0.89002 1.00000 Ca15 Ca 0.37500 0.62500 0.75000 1.00000 Ca16 Ca 0.19946 0.27428 0.66430 1.00000 Ca17 Ca 0.27428 0.66430 0.19946 1.00000 Ca18 Ca 0.66430 0.19946 0.27428 1.00000 Ca19 Ca 0.42518 0.39002 0.22572 1.00000 Ca20 Ca 0.87500 0.25000 0.12500 1.00000 Ca21 Ca 0.77428 0.69946 0.16430 1.00000 Ca22 Ca 0.69946 0.16430 0.77428 1.00000 Ca23 Ca 0.07482 0.30054 0.96484 1.00000 Ca24 Ca 0.03516 0.60998 0.33570 1.00000 Ca25 Ca 0.22572 0.42518 0.39002 1.00000 Ca26 Ca 0.80054 0.57482 0.46484 1.00000 Ca27 Ca 0.10998 0.53516 0.83570 1.00000 Ca28 Ca 0.75000 0.37500 0.62500 1.00000 Ca29 Ca 0.96484 0.07482 0.30054 1.00000 Ca30 Ca 0.62500 0.75000 0.37500 1.00000 Tl1 Tl 0.59559 0.59559 0.59559 1.00000 Tl2 Tl 0.90441 0.50000 0.00000 1.00000 Tl3 Tl 0.09559 0.09559 0.09559 1.00000 Tl4 Tl 0.00000 0.40441 0.50000 1.00000 Tl5 Tl 0.00000 0.90441 0.50000 1.00000 Tl6 Tl 0.40441 0.50000 0.00000 1.00000 Tl7 Tl 0.50000 0.00000 0.40441 1.00000 Tl8 Tl 0.50000 0.00000 0.90441 1.00000