# CIF generated by HEAS from Alexandria entry agm004448739 data_agm004448739 _cell_length_a 13.74156 _cell_length_b 13.74156 _cell_length_c 3.72079 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 702.59831 _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 0.40794 0.85786 0.00000 1.00000 Ca2 Ca 0.59206 0.14214 0.00000 1.00000 Ca3 Ca 0.14214 0.40794 0.00000 1.00000 Ca4 Ca 0.85786 0.59206 0.00000 1.00000 Ca5 Ca 0.90794 0.35786 0.50000 1.00000 Ca6 Ca 0.09206 0.64214 0.50000 1.00000 Ca7 Ca 0.64214 0.90794 0.50000 1.00000 Ca8 Ca 0.35786 0.09206 0.50000 1.00000 Ca9 Ca 0.39548 0.33495 0.00000 1.00000 Ca10 Ca 0.60452 0.66505 0.00000 1.00000 Ca11 Ca 0.66505 0.39548 0.00000 1.00000 Ca12 Ca 0.33495 0.60452 0.00000 1.00000 Ca13 Ca 0.89548 0.83495 0.50000 1.00000 Ca14 Ca 0.10452 0.16505 0.50000 1.00000 Ca15 Ca 0.16505 0.89548 0.50000 1.00000 Ca16 Ca 0.83495 0.10452 0.50000 1.00000