# CIF generated by HEAS from Alexandria entry agm004158317 data_agm004158317 _cell_length_a 6.18981 _cell_length_b 3.87629 _cell_length_c 6.89239 _cell_angle_alpha 83.47824 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 164.30246 _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 Ba1 Ba 0.50000 0.75000 0.75000 1.00000 Ca1 Ca 0.00000 0.04553 0.01723 1.00000 Ca2 Ca 0.00000 0.45447 0.48277 1.00000 Mg1 Mg 0.50000 0.25000 0.25000 1.00000