# CIF generated by HEAS from Alexandria entry agm005653575 data_agm005653575 _cell_length_a 6.83030 _cell_length_b 6.83030 _cell_length_c 12.54413 _cell_angle_alpha 100.36510 _cell_angle_beta 100.36511 _cell_angle_gamma 109.82441 _cell_volume 522.87714 _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 Zr1 Zr 0.99962 0.49962 0.99924 1.00000 Zr2 Zr 0.41787 0.41787 0.83574 1.00000 Zr3 Zr 0.83213 0.33213 0.66426 1.00000 Zr4 Zr 0.25038 0.25038 0.50076 1.00000 Zr5 Zr 0.74962 0.74962 0.49924 1.00000 Zr6 Zr 0.66787 0.16787 0.33574 1.00000 Zr7 Zr 0.58213 0.58213 0.16426 1.00000 Zr8 Zr 0.50038 0.00038 0.00076 1.00000 Pa1 Pa 0.91688 0.91688 0.83375 1.00000 Pa2 Pa 0.33312 0.83312 0.66625 1.00000 Pa3 Pa 0.16688 0.66688 0.33375 1.00000 Pa4 Pa 0.08312 0.08312 0.16625 1.00000 As1 As 0.16722 0.65896 0.83572 1.00000 As2 As 0.66849 0.17675 0.83572 1.00000 As3 As 0.08278 0.09104 0.66428 1.00000 As4 As 0.58151 0.57325 0.66428 1.00000 As5 As 0.99151 0.49151 0.50000 1.00000 As6 As 0.50849 0.00849 0.50000 1.00000 As7 As 0.42675 0.41849 0.33572 1.00000 As8 As 0.90896 0.91722 0.33572 1.00000 As9 As 0.82325 0.33151 0.16428 1.00000 As10 As 0.34104 0.83278 0.16428 1.00000 As11 As 0.25849 0.25849 1.00000 1.00000 As12 As 0.74151 0.74151 0.00000 1.00000