# CIF generated by HEAS from Alexandria entry agm004877331 data_agm004877331 _cell_length_a 4.81763 _cell_length_b 4.81763 _cell_length_c 6.37276 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 128.09319 _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 Pa1 Pa 0.00000 0.00000 0.50000 1.00000 Cr1 Cr 0.00000 0.00000 0.00000 1.00000 B1 B 0.66667 0.33333 0.27998 1.00000 B2 B 0.33333 0.66667 0.72002 1.00000 O1 O 0.83154 0.16846 0.20805 1.00000 O2 O 0.83154 0.66307 0.20805 1.00000 O3 O 0.33693 0.16846 0.20805 1.00000 O4 O 0.66307 0.83154 0.79195 1.00000 O5 O 0.33333 0.66667 0.49144 1.00000 O6 O 0.66667 0.33333 0.50856 1.00000 O7 O 0.16846 0.83154 0.79195 1.00000 O8 O 0.16846 0.33693 0.79195 1.00000