# CIF generated by HEAS from Alexandria entry agm005017656 data_agm005017656 _cell_length_a 3.85042 _cell_length_b 3.85042 _cell_length_c 6.46245 _cell_angle_alpha 107.33193 _cell_angle_beta 107.33193 _cell_angle_gamma 90.00000 _cell_volume 86.89245 _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 0.00000 0.00000 0.00000 1.00000 Ti1 Ti 0.75000 0.25000 0.50000 1.00000 Fe1 Fe 0.25000 0.75000 0.50000 1.00000 P1 P 0.62851 0.62851 0.25702 1.00000 P2 P 0.37149 0.37149 0.74298 1.00000