# generated using pymatgen data_CeCu6(PO7)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.24751876 _cell_length_b 13.24751876 _cell_length_c 5.74897400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000378 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeCu6(PO7)3 _chemical_formula_sum 'Ce2 Cu12 P6 O42' _cell_volume 873.75574829 _cell_formula_units_Z 2 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 Ce Ce0 1 0.66666700 0.33333300 0.75000000 1.0 Ce Ce1 1 0.33333300 0.66666700 0.25000000 1.0 Cu Cu2 1 0.69256300 0.60091900 0.00229100 1.0 Cu Cu3 1 0.90835600 0.30743700 0.00229100 1.0 Cu Cu4 1 0.39908100 0.09164400 0.00229100 1.0 Cu Cu5 1 0.30743700 0.39908100 0.50229100 1.0 Cu Cu6 1 0.09164400 0.69256300 0.50229100 1.0 Cu Cu7 1 0.60091900 0.90835600 0.50229100 1.0 Cu Cu8 1 0.30743700 0.39908100 0.99770900 1.0 Cu Cu9 1 0.09164400 0.69256300 0.99770900 1.0 Cu Cu10 1 0.60091900 0.90835600 0.99770900 1.0 Cu Cu11 1 0.69256300 0.60091900 0.49770900 1.0 Cu Cu12 1 0.90835600 0.30743700 0.49770900 1.0 Cu Cu13 1 0.39908100 0.09164400 0.49770900 1.0 P P14 1 0.48735500 0.33455100 0.25000000 1.0 P P15 1 0.84719700 0.51264500 0.25000000 1.0 P P16 1 0.66544900 0.15280300 0.25000000 1.0 P P17 1 0.51264500 0.66544900 0.75000000 1.0 P P18 1 0.15280300 0.48735500 0.75000000 1.0 P P19 1 0.33455100 0.84719700 0.75000000 1.0 O O20 1 0.41031400 0.19573500 0.25000000 1.0 O O21 1 0.78542100 0.58968600 0.25000000 1.0 O O22 1 0.80426500 0.21457900 0.25000000 1.0 O O23 1 0.58968600 0.80426500 0.75000000 1.0 O O24 1 0.21457900 0.41031400 0.75000000 1.0 O O25 1 0.19573500 0.78542100 0.75000000 1.0 O O26 1 0.39288200 0.37551300 0.25000000 1.0 O O27 1 0.98263100 0.60711800 0.25000000 1.0 O O28 1 0.62448700 0.01736900 0.25000000 1.0 O O29 1 0.60711800 0.62448700 0.75000000 1.0 O O30 1 0.01736900 0.39288200 0.75000000 1.0 O O31 1 0.37551300 0.98263100 0.75000000 1.0 O O32 1 0.56003200 0.37747400 0.03005300 1.0 O O33 1 0.81744200 0.43996800 0.03005300 1.0 O O34 1 0.62252600 0.18255800 0.03005300 1.0 O O35 1 0.43996800 0.62252600 0.53005300 1.0 O O36 1 0.18255800 0.56003200 0.53005300 1.0 O O37 1 0.37747400 0.81744200 0.53005300 1.0 O O38 1 0.43996800 0.62252600 0.96994700 1.0 O O39 1 0.18255800 0.56003200 0.96994700 1.0 O O40 1 0.37747400 0.81744200 0.96994700 1.0 O O41 1 0.56003200 0.37747400 0.46994700 1.0 O O42 1 0.81744200 0.43996800 0.46994700 1.0 O O43 1 0.62252600 0.18255800 0.46994700 1.0 O O44 1 0.65004600 0.65709100 0.25000000 1.0 O O45 1 0.00704500 0.34995400 0.25000000 1.0 O O46 1 0.34290900 0.99295500 0.25000000 1.0 O O47 1 0.34995400 0.34290900 0.75000000 1.0 O O48 1 0.99295500 0.65004600 0.75000000 1.0 O O49 1 0.65709100 0.00704500 0.75000000 1.0 O O50 1 0.74057900 0.54802200 0.75000000 1.0 O O51 1 0.80744300 0.25942100 0.75000000 1.0 O O52 1 0.45197800 0.19255700 0.75000000 1.0 O O53 1 0.25942100 0.45197800 0.25000000 1.0 O O54 1 0.19255700 0.74057900 0.25000000 1.0 O O55 1 0.54802200 0.80744300 0.25000000 1.0 O O56 1 0.93194800 0.94478900 0.75000000 1.0 O O57 1 0.01284200 0.06805200 0.75000000 1.0 O O58 1 0.05521100 0.98715800 0.75000000 1.0 O O59 1 0.06805200 0.05521100 0.25000000 1.0 O O60 1 0.98715800 0.93194800 0.25000000 1.0 O O61 1 0.94478900 0.01284200 0.25000000 1.0