# generated using pymatgen data_BaPr(PPt3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55714161 _cell_length_b 8.54763456 _cell_length_c 8.56620319 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.01398674 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPr(PPt3)4 _chemical_formula_sum 'Ba2 Pr2 P8 Pt24' _cell_volume 626.56051609 _cell_formula_units_Z 2 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 Ba Ba0 1 0.50000000 0.50000000 0.00000000 1.0 Ba Ba1 1 0.50000000 0.00000000 0.50000000 1.0 Pr Pr2 1 0.00000000 0.50000000 0.50000000 1.0 Pr Pr3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.80563776 0.30860558 0.20152862 1.0 P P5 1 0.19436224 0.80860558 0.29847138 1.0 P P6 1 0.69465785 0.69689646 0.69217429 1.0 P P7 1 0.30534215 0.19689646 0.80782571 1.0 P P8 1 0.19436224 0.69139442 0.79847138 1.0 P P9 1 0.80563776 0.19139442 0.70152862 1.0 P P10 1 0.30534215 0.30310354 0.30782571 1.0 P P11 1 0.69465785 0.80310354 0.19217429 1.0 Pt Pt12 1 0.42638937 0.84218676 0.15413847 1.0 Pt Pt13 1 0.57361063 0.34218676 0.34586153 1.0 Pt Pt14 1 0.08131227 0.15319158 0.66042089 1.0 Pt Pt15 1 0.91868773 0.65319158 0.83957911 1.0 Pt Pt16 1 0.14918545 0.42324834 0.83678622 1.0 Pt Pt17 1 0.33307053 0.58022590 0.34872265 1.0 Pt Pt18 1 0.66692947 0.08022590 0.15127735 1.0 Pt Pt19 1 0.85081455 0.92324834 0.66321378 1.0 Pt Pt20 1 0.84869351 0.16540780 0.42788029 1.0 Pt Pt21 1 0.33549281 0.34909223 0.57887613 1.0 Pt Pt22 1 0.15130649 0.66540780 0.07211971 1.0 Pt Pt23 1 0.66450719 0.84909223 0.92112387 1.0 Pt Pt24 1 0.57361063 0.15781324 0.84586153 1.0 Pt Pt25 1 0.42638937 0.65781324 0.65413847 1.0 Pt Pt26 1 0.91868773 0.84680842 0.33957911 1.0 Pt Pt27 1 0.08131227 0.34680842 0.16042089 1.0 Pt Pt28 1 0.85081455 0.57675166 0.16321378 1.0 Pt Pt29 1 0.66692947 0.41977410 0.65127735 1.0 Pt Pt30 1 0.33307053 0.91977410 0.84872265 1.0 Pt Pt31 1 0.14918545 0.07675166 0.33678622 1.0 Pt Pt32 1 0.15130649 0.83459220 0.57211971 1.0 Pt Pt33 1 0.66450719 0.65090777 0.42112387 1.0 Pt Pt34 1 0.84869351 0.33459220 0.92788029 1.0 Pt Pt35 1 0.33549281 0.15090777 0.07887613 1.0