# generated using pymatgen data_YbPrCuS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.20852431 _cell_length_b 3.87550620 _cell_length_c 12.57113288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbPrCuS3 _chemical_formula_sum 'Yb4 Pr4 Cu4 S12' _cell_volume 497.35423439 _cell_formula_units_Z 4 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 Yb Yb0 1 0.01770594 0.25000200 0.23712024 1.0 Yb Yb1 1 0.51770494 0.25000200 0.26288076 1.0 Yb Yb2 1 0.48229506 0.75000200 0.73711924 1.0 Yb Yb3 1 0.98229506 0.75000200 0.76288076 1.0 Pr Pr4 1 0.27990938 0.25000200 0.00029088 1.0 Pr Pr5 1 0.77990938 0.25000200 0.49971012 1.0 Pr Pr6 1 0.22009162 0.75000200 0.50029088 1.0 Pr Pr7 1 0.72009062 0.75000200 0.99970912 1.0 Cu Cu8 1 0.26753412 0.75000200 0.22878264 1.0 Cu Cu9 1 0.76753412 0.75000200 0.27121736 1.0 Cu Cu10 1 0.23246588 0.25000200 0.72878264 1.0 Cu Cu11 1 0.73246688 0.25000200 0.77121736 1.0 S S12 1 0.10583005 0.75000200 0.09997109 1.0 S S13 1 0.44774416 0.75000200 0.11240549 1.0 S S14 1 0.76087368 0.25000200 0.16793872 1.0 S S15 1 0.26087468 0.25000200 0.33206128 1.0 S S16 1 0.94774516 0.75000200 0.38759351 1.0 S S17 1 0.60583005 0.75000200 0.40002891 1.0 S S18 1 0.39416895 0.25000200 0.59997109 1.0 S S19 1 0.05225484 0.25000200 0.61240649 1.0 S S20 1 0.73912632 0.75000200 0.66793872 1.0 S S21 1 0.23912632 0.75000200 0.83206128 1.0 S S22 1 0.55225584 0.25000200 0.88759451 1.0 S S23 1 0.89416995 0.25000200 0.90002991 1.0