# CIF generated by HEAS from Alexandria entry agm006042811 data_agm006042811 _cell_length_a 4.24127 _cell_length_b 7.37899 _cell_length_c 7.37899 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 230.93515 _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 0.00000 0.00000 1.00000 Ca2 Ca 0.50000 0.50000 0.50000 1.00000 Tc1 Tc 0.36409 0.36727 0.87377 1.00000 Tc2 Tc 0.86409 0.62623 0.86727 1.00000 Tc3 Tc 0.36409 0.63273 0.12623 1.00000 Tc4 Tc 0.13591 0.13273 0.62623 1.00000 Tc5 Tc 0.63591 0.87377 0.63273 1.00000 Tc6 Tc 0.13591 0.86727 0.37377 1.00000 Tc7 Tc 0.86409 0.37377 0.13273 1.00000 Tc8 Tc 0.63591 0.12623 0.36727 1.00000 B1 B 0.63339 0.82478 0.31601 1.00000 B2 B 0.63339 0.17522 0.68399 1.00000 B3 B 0.13339 0.81601 0.67522 1.00000 B4 B 0.86661 0.32478 0.81601 1.00000 B5 B 0.86661 0.67522 0.18399 1.00000 B6 B 0.36661 0.31601 0.17522 1.00000 B7 B 0.36661 0.68399 0.82478 1.00000 B8 B 0.13339 0.18399 0.32478 1.00000