# generated using pymatgen data_Zr6Zn16Cu7C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48887031 _cell_length_b 8.48886920 _cell_length_c 8.48886948 _cell_angle_alpha 59.99999511 _cell_angle_beta 59.99999946 _cell_angle_gamma 59.99999529 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn16Cu7C _chemical_formula_sum 'Zr6 Zn16 Cu7 C1' _cell_volume 432.54825625 _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 Zr Zr0 1 0.69175752 0.30824248 0.30824248 1.0 Zr Zr1 1 0.30824248 0.69175752 0.69175752 1.0 Zr Zr2 1 0.30824248 0.69175752 0.30824248 1.0 Zr Zr3 1 0.69175752 0.30824248 0.69175752 1.0 Zr Zr4 1 0.30824248 0.30824248 0.69175752 1.0 Zr Zr5 1 0.69175752 0.69175752 0.30824248 1.0 Zn Zn6 1 0.11966059 0.11966059 0.11966059 1.0 Zn Zn7 1 0.88033941 0.88033941 0.88033941 1.0 Zn Zn8 1 0.11966059 0.11966059 0.64102022 1.0 Zn Zn9 1 0.11966059 0.64102022 0.11966059 1.0 Zn Zn10 1 0.88033941 0.88033941 0.35897978 1.0 Zn Zn11 1 0.88033941 0.35897978 0.88033941 1.0 Zn Zn12 1 0.64102022 0.11966059 0.11966059 1.0 Zn Zn13 1 0.35897978 0.88033941 0.88033941 1.0 Zn Zn14 1 0.33097776 0.33097776 0.33097776 1.0 Zn Zn15 1 0.66902224 0.66902224 0.66902224 1.0 Zn Zn16 1 0.33097776 0.33097776 0.00706671 1.0 Zn Zn17 1 0.33097776 0.00706671 0.33097776 1.0 Zn Zn18 1 0.66902224 0.66902224 0.99293329 1.0 Zn Zn19 1 0.66902224 0.99293329 0.66902224 1.0 Zn Zn20 1 0.00706671 0.33097776 0.33097776 1.0 Zn Zn21 1 0.99293329 0.66902224 0.66902224 1.0 Cu Cu22 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu23 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu24 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu25 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu26 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu27 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu28 1 0.00000000 0.00000000 0.00000000 1.0 C C29 1 0.50000000 0.50000000 0.50000000 1.0