data_image0 _chemical_formula_structural ZrS2 _chemical_formula_sum "Zr1 S2" _cell_length_a 3.57141330342367 _cell_length_b 3.5714133034236695 _cell_length_c 18.14014820851022 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.00000000000001 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Zr1 1.0 0.0 0.0 0.49999999976543136 1.0000 S S1 1.0 0.6666666668243618 0.3333333346073553 0.5865524409005827 1.0000 S S2 1.0 0.6666666668243618 0.3333333346073553 0.4134475591815436 1.0000