# CIF generated by HEAS from Alexandria entry agm002017402 data_agm002017402 _cell_length_a 7.88845 _cell_length_b 3.44817 _cell_length_c 11.10977 _cell_angle_alpha 90.00000 _cell_angle_beta 133.29179 _cell_angle_gamma 90.00000 _cell_volume 219.95813 _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 0.10298 0.00000 0.03414 1.00000 Ca2 Ca 0.10298 0.50000 0.53414 1.00000 Ca3 Ca 0.53388 0.00000 0.02515 1.00000 Ca4 Ca 0.53388 0.50000 0.52515 1.00000 B1 B 0.05840 0.24474 0.27162 1.00000 B2 B 0.05840 0.75526 0.27162 1.00000 B3 B 0.05840 0.74474 0.77162 1.00000 B4 B 0.05840 0.25526 0.77162 1.00000 S1 S 0.84034 0.00000 0.55230 1.00000 S2 S 0.84034 0.50000 0.05230 1.00000 S3 S 0.46760 0.00000 0.68197 1.00000 S4 S 0.46760 0.50000 0.18197 1.00000