# generated using pymatgen data_Ba2P4Ir3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74529140 _cell_length_b 6.90649889 _cell_length_c 5.74547237 _cell_angle_alpha 65.35567925 _cell_angle_beta 89.99990172 _cell_angle_gamma 89.99995058 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2P4Ir3W _chemical_formula_sum 'Ba2 P4 Ir3 W1' _cell_volume 207.21369622 _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 Ba Ba0 1 0.99095116 0.00000100 0.99999900 1.0 Ba Ba1 1 0.50928496 0.99999900 0.50000100 1.0 P P2 1 0.49676432 0.69462767 0.15496747 1.0 P P3 1 0.00323522 0.69476412 0.64934211 1.0 P P4 1 0.00323822 0.30523588 0.35065689 1.0 P P5 1 0.49676732 0.30537433 0.84503153 1.0 Ir Ir6 1 0.24940092 0.50000100 0.00000100 1.0 Ir Ir7 1 0.74971510 0.50000100 0.00000000 1.0 Ir Ir8 1 0.75012060 0.49999700 0.50000000 1.0 W W9 1 0.25052316 0.49999900 0.49999900 1.0