# generated using pymatgen data_Ca2ZnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60327200 _cell_length_b 12.53927400 _cell_length_c 22.00305550 _cell_angle_alpha 89.69219886 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZnSb2 _chemical_formula_sum 'Ca18 Zn9 Sb18' _cell_volume 1270.03519788 _cell_formula_units_Z 9 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 Ca Ca0 1 0.00000000 0.06402200 0.58892900 1.0 Ca Ca1 1 0.00000000 0.93713500 0.40928400 1.0 Ca Ca2 1 0.00000000 0.44218000 0.09257000 1.0 Ca Ca3 1 0.00000000 0.56305700 0.90961700 1.0 Ca Ca4 1 0.00000000 0.36710200 0.63587200 1.0 Ca Ca5 1 0.00000000 0.63456100 0.36270200 1.0 Ca Ca6 1 0.00000000 0.13163800 0.14173800 1.0 Ca Ca7 1 0.00000000 0.85362100 0.86126500 1.0 Ca Ca8 1 0.00000000 0.12531800 0.75462100 1.0 Ca Ca9 1 0.00000000 0.87856800 0.23704500 1.0 Ca Ca10 1 0.00000000 0.37977900 0.26320100 1.0 Ca Ca11 1 0.00000000 0.61925500 0.73581300 1.0 Ca Ca12 1 0.50000000 0.49960500 0.49977300 1.0 Ca Ca13 1 0.50000000 0.99475600 0.00438100 1.0 Ca Ca14 1 0.50000000 0.29941000 0.89793700 1.0 Ca Ca15 1 0.50000000 0.71478400 0.10393100 1.0 Ca Ca16 1 0.50000000 0.21384100 0.39747400 1.0 Ca Ca17 1 0.50000000 0.78582100 0.60079500 1.0 Zn Zn18 1 0.50000000 0.22228800 0.54486500 1.0 Zn Zn19 1 0.50000000 0.77745000 0.45382700 1.0 Zn Zn20 1 0.50000000 0.28347200 0.04556100 1.0 Zn Zn21 1 0.50000000 0.72311700 0.95405000 1.0 Zn Zn22 1 0.50000000 0.38064100 0.73740000 1.0 Zn Zn23 1 0.50000000 0.61875100 0.26278000 1.0 Zn Zn24 1 0.50000000 0.11686200 0.23838300 1.0 Zn Zn25 1 0.50000000 0.87223300 0.75991300 1.0 Zn Zn26 1 0.00000000 0.10505000 0.89604400 1.0 Sb Sb27 1 0.00000000 0.19698100 0.00185800 1.0 Sb Sb28 1 0.00000000 0.80604300 0.00440700 1.0 Sb Sb29 1 0.00000000 0.30593100 0.49450900 1.0 Sb Sb30 1 0.00000000 0.69370100 0.50617900 1.0 Sb Sb31 1 0.00000000 0.37428200 0.80714300 1.0 Sb Sb32 1 0.00000000 0.62237100 0.19447000 1.0 Sb Sb33 1 0.00000000 0.12250900 0.30484300 1.0 Sb Sb34 1 0.00000000 0.88205600 0.69642700 1.0 Sb Sb35 1 0.50000000 0.19086700 0.66707900 1.0 Sb Sb36 1 0.50000000 0.81046200 0.33215100 1.0 Sb Sb37 1 0.50000000 0.30940400 0.16586800 1.0 Sb Sb38 1 0.50000000 0.68772600 0.83201000 1.0 Sb Sb39 1 0.50000000 0.04057400 0.85182100 1.0 Sb Sb40 1 0.50000000 0.95983800 0.14729300 1.0 Sb Sb41 1 0.50000000 0.46019300 0.35224600 1.0 Sb Sb42 1 0.50000000 0.53939900 0.64859400 1.0 Sb Sb43 1 0.50000000 0.99941600 0.50056300 1.0 Sb Sb44 1 0.50000000 0.49942600 0.99946900 1.0