# CIF generated by HEAS from Alexandria entry agm003804322 data_agm003804322 _cell_length_a 3.65055 _cell_length_b 3.65055 _cell_length_c 8.93445 _cell_angle_alpha 78.92749 _cell_angle_beta 78.92749 _cell_angle_gamma 58.70151 _cell_volume 99.23740 _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 0.99870 0.99870 0.01397 1.00000 Ca2 Ca 0.50130 0.50130 0.48603 1.00000 Tc1 Tc 0.25000 0.25000 0.25000 1.00000 Br1 Br 0.75000 0.75000 0.75000 1.00000