# generated using pymatgen data_Zr6SnAsC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40053746 _cell_length_b 3.40053870 _cell_length_c 19.00429600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000731 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6SnAsC4 _chemical_formula_sum 'Zr6 Sn1 As1 C4' _cell_volume 190.31703878 _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 0.00000000 0.00000000 0.01196737 1.0 Zr Zr1 1 0.33333300 0.66666700 0.14794498 1.0 Zr Zr2 1 0.33333300 0.66666700 0.35205502 1.0 Zr Zr3 1 0.00000000 0.00000000 0.48803263 1.0 Zr Zr4 1 0.66666700 0.33333300 0.62272760 1.0 Zr Zr5 1 0.66666700 0.33333300 0.87727240 1.0 Sn Sn6 1 0.00000000 0.00000000 0.75000000 1.0 As As7 1 0.00000000 0.00000000 0.25000000 1.0 C C8 1 0.33333300 0.66666700 0.93866812 1.0 C C9 1 0.66666700 0.33333300 0.08534810 1.0 C C10 1 0.66666700 0.33333300 0.41465190 1.0 C C11 1 0.33333300 0.66666700 0.56133188 1.0