# generated using pymatgen data_Na2Zr(CuS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12221657 _cell_length_b 7.12221657 _cell_length_c 7.08947700 _cell_angle_alpha 68.49669708 _cell_angle_beta 68.49669708 _cell_angle_gamma 30.44773440 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Zr(CuS2)2 _chemical_formula_sum 'Na2 Zr1 Cu2 S4' _cell_volume 168.57668574 _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 Na Na0 1 0.86147500 0.86147500 0.55959400 1.0 Na Na1 1 0.13852500 0.13852500 0.44040600 1.0 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu3 1 0.32125100 0.32125100 0.98638100 1.0 Cu Cu4 1 0.67874900 0.67874900 0.01361900 1.0 S S5 1 0.79580600 0.79580600 0.20115900 1.0 S S6 1 0.20419400 0.20419400 0.79884100 1.0 S S7 1 0.49012000 0.49012000 0.75121800 1.0 S S8 1 0.50988000 0.50988000 0.24878200 1.0