# CIF generated by HEAS from Alexandria entry agm005673580 data_agm005673580 _cell_length_a 3.89207 _cell_length_b 8.51393 _cell_length_c 19.11755 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 633.49401 _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 0.00000 0.50000 0.00000 1.00000 Ca2 Ca 0.00000 0.00000 0.50000 1.00000 Ca3 Ca 0.00000 0.27416 0.20295 1.00000 Ca4 Ca 0.00000 0.72584 0.79705 1.00000 Ca5 Ca 0.00000 0.77416 0.29705 1.00000 Ca6 Ca 0.00000 0.22584 0.70295 1.00000 Ca7 Ca 0.00000 0.38508 0.41907 1.00000 Ca8 Ca 0.00000 0.61492 0.58093 1.00000 Ca9 Ca 0.00000 0.88508 0.08093 1.00000 Ca10 Ca 0.00000 0.11492 0.91907 1.00000 Tl1 Tl 0.50000 0.29367 0.55901 1.00000 Tl2 Tl 0.50000 0.70633 0.44099 1.00000 Tl3 Tl 0.50000 0.79367 0.94099 1.00000 Tl4 Tl 0.50000 0.20633 0.05901 1.00000 Tl5 Tl 0.50000 0.40758 0.85589 1.00000 Tl6 Tl 0.50000 0.59242 0.14411 1.00000 Tl7 Tl 0.50000 0.90758 0.64411 1.00000 Tl8 Tl 0.50000 0.09242 0.35589 1.00000 Hg1 Hg 0.50000 0.47506 0.29840 1.00000 Hg2 Hg 0.50000 0.52494 0.70160 1.00000 Hg3 Hg 0.50000 0.97506 0.20160 1.00000 Hg4 Hg 0.50000 0.02494 0.79840 1.00000