# CIF generated by HEAS from Alexandria entry agm003813629 data_agm003813629 _cell_length_a 4.79961 _cell_length_b 4.80348 _cell_length_c 4.52958 _cell_angle_alpha 89.94353 _cell_angle_beta 90.00000 _cell_angle_gamma 119.97338 _cell_volume 90.46221 _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 Be1 Be 0.00000 0.00000 0.00000 1.00000 Ca1 Ca 0.66660 0.33319 0.25427 1.00000 Ca2 Ca 0.33340 0.66681 0.74573 1.00000