# CIF generated by HEAS from Alexandria entry agm005476504 data_agm005476504 _cell_length_a 5.45012 _cell_length_b 5.45012 _cell_length_c 5.45012 _cell_angle_alpha 109.13591 _cell_angle_beta 109.13591 _cell_angle_gamma 110.14394 _cell_volume 124.60973 _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 0.22940 0.27060 0.50000 1.00000 Ca2 Ca 0.77060 0.72940 0.50000 1.00000 Ca3 Ca 0.72940 0.22940 0.95881 1.00000 Ca4 Ca 0.27060 0.77060 0.04119 1.00000 C1 C 0.75000 0.75000 0.00000 1.00000 C2 C 0.25000 0.25000 0.00000 1.00000