# generated using pymatgen data_Zr6BiAsC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02324360 _cell_length_b 6.02324325 _cell_length_c 8.94253317 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.55803819 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6BiAsC2 _chemical_formula_sum 'Zr6 Bi1 As1 C2' _cell_volume 183.48840764 _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 0.87623601 0.12376099 0.03835908 1.0 Zr Zr1 1 0.54340666 0.45659134 0.25000000 1.0 Zr Zr2 1 0.87623601 0.12376099 0.46163992 1.0 Zr Zr3 1 0.12874833 0.87124867 0.56192778 1.0 Zr Zr4 1 0.43848476 0.56151324 0.75000000 1.0 Zr Zr5 1 0.12874833 0.87124867 0.93807322 1.0 Bi Bi6 1 0.24855531 0.75144169 0.25000000 1.0 As As7 1 0.75457636 0.24542064 0.75000000 1.0 C C8 1 0.50249812 0.49749988 0.99555346 1.0 C C9 1 0.50249812 0.49749988 0.50444754 1.0