# generated using pymatgen data_Er6Zn23S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86508859 _cell_length_b 8.86508828 _cell_length_c 8.86508931 _cell_angle_alpha 59.99999970 _cell_angle_beta 60.00000084 _cell_angle_gamma 59.99999737 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er6Zn23S _chemical_formula_sum 'Er6 Zn23 S1' _cell_volume 492.64519935 _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 Er Er0 1 0.71291587 0.28708413 0.28708413 1.0 Er Er1 1 0.71291587 0.28708413 0.71291587 1.0 Er Er2 1 0.71291587 0.71291587 0.28708413 1.0 Er Er3 1 0.28708413 0.71291587 0.71291587 1.0 Er Er4 1 0.28708413 0.71291587 0.28708413 1.0 Er Er5 1 0.28708413 0.28708413 0.71291587 1.0 Zn Zn6 1 0.62750667 0.12416478 0.12416478 1.0 Zn Zn7 1 0.12416478 0.62750667 0.12416478 1.0 Zn Zn8 1 0.12416478 0.12416478 0.62750667 1.0 Zn Zn9 1 0.12416478 0.12416478 0.12416478 1.0 Zn Zn10 1 0.37249333 0.87583522 0.87583522 1.0 Zn Zn11 1 0.87583522 0.37249333 0.87583522 1.0 Zn Zn12 1 0.87583522 0.87583522 0.37249333 1.0 Zn Zn13 1 0.87583522 0.87583522 0.87583522 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn16 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn17 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn18 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn19 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn20 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn21 1 0.01546730 0.32817757 0.32817757 1.0 Zn Zn22 1 0.32817757 0.01546730 0.32817757 1.0 Zn Zn23 1 0.32817757 0.32817757 0.01546730 1.0 Zn Zn24 1 0.32817757 0.32817757 0.32817757 1.0 Zn Zn25 1 0.98453270 0.67182243 0.67182243 1.0 Zn Zn26 1 0.67182243 0.98453270 0.67182243 1.0 Zn Zn27 1 0.67182243 0.67182243 0.98453270 1.0 Zn Zn28 1 0.67182243 0.67182243 0.67182243 1.0 S S29 1 0.50000000 0.50000000 0.50000000 1.0