# generated using pymatgen data_RbCuPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31324900 _cell_length_b 9.06370100 _cell_length_c 9.38145800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbCuPO4 _chemical_formula_sum 'Rb4 Cu4 P4 O16' _cell_volume 451.78944250 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 0.50995600 0.30492500 0.51227600 1.0 Rb Rb1 1 0.00995600 0.80492500 0.98772400 1.0 Rb Rb2 1 0.00995600 0.69507500 0.48772400 1.0 Rb Rb3 1 0.50995600 0.19507500 0.01227600 1.0 Cu Cu4 1 0.52954200 0.58547900 0.16816200 1.0 Cu Cu5 1 0.02954200 0.41452100 0.83183800 1.0 Cu Cu6 1 0.52954200 0.91452100 0.66816200 1.0 Cu Cu7 1 0.02954200 0.08547900 0.33183800 1.0 P P8 1 0.51893700 0.59144500 0.80884200 1.0 P P9 1 0.01893700 0.40855500 0.19115800 1.0 P P10 1 0.01893700 0.09144500 0.69115800 1.0 P P11 1 0.51893700 0.90855500 0.30884200 1.0 O O12 1 0.17280400 0.55268400 0.21093500 1.0 O O13 1 0.17280400 0.94731600 0.71093500 1.0 O O14 1 0.49305000 0.86302300 0.46699500 1.0 O O15 1 0.15402400 0.21792800 0.76943600 1.0 O O16 1 0.49305000 0.63697700 0.96699500 1.0 O O17 1 0.75396900 0.06142300 0.75679800 1.0 O O18 1 0.67280400 0.05268400 0.28906500 1.0 O O19 1 0.67280400 0.44731600 0.78906500 1.0 O O20 1 0.65402400 0.78207200 0.23056400 1.0 O O21 1 0.75396900 0.43857700 0.25679800 1.0 O O22 1 0.25396900 0.56142300 0.74320200 1.0 O O23 1 0.15402400 0.28207200 0.26943600 1.0 O O24 1 0.25396900 0.93857700 0.24320200 1.0 O O25 1 0.99305000 0.13697700 0.53300500 1.0 O O26 1 0.65402400 0.71792800 0.73056400 1.0 O O27 1 0.99305000 0.36302300 0.03300500 1.0