# generated using pymatgen data_LiNb2(PO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02049400 _cell_length_b 6.51221800 _cell_length_c 6.51221800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb2(PO5)2 _chemical_formula_sum 'Li1 Nb2 P2 O10' _cell_volume 212.91404610 _cell_formula_units_Z 1 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 Li Li0 1 0.00000000 0.25000000 0.75000000 1.0 Nb Nb1 1 0.23190100 0.75000000 0.75000000 1.0 Nb Nb2 1 0.76809900 0.25000000 0.25000000 1.0 P P3 1 0.50000000 0.75000000 0.25000000 1.0 P P4 1 0.50000000 0.25000000 0.75000000 1.0 O O5 1 0.67589900 0.55533800 0.25000000 1.0 O O6 1 0.67589900 0.94466200 0.25000000 1.0 O O7 1 0.11667100 0.25000000 0.25000000 1.0 O O8 1 0.88332900 0.75000000 0.75000000 1.0 O O9 1 0.69210300 0.25000000 0.93422600 1.0 O O10 1 0.69210300 0.25000000 0.56577400 1.0 O O11 1 0.32410100 0.75000000 0.44466200 1.0 O O12 1 0.30789700 0.06577400 0.75000000 1.0 O O13 1 0.30789700 0.43422600 0.75000000 1.0 O O14 1 0.32410100 0.75000000 0.05533800 1.0