# generated using pymatgen data_Ba2VP4Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66615199 _cell_length_b 6.92279007 _cell_length_c 5.66441038 _cell_angle_alpha 65.82509210 _cell_angle_beta 89.99990086 _cell_angle_gamma 89.99995098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2VP4Ir3 _chemical_formula_sum 'Ba2 V1 P4 Ir3' _cell_volume 202.70364219 _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 0.99124987 0.00000100 0.99999900 1.0 Ba Ba1 1 0.50857713 0.99999900 0.50000100 1.0 V V2 1 0.24995269 0.49999900 0.49999900 1.0 P P3 1 0.49548507 0.69580954 0.15607048 1.0 P P4 1 0.00456169 0.69578900 0.64780562 1.0 P P5 1 0.00456469 0.30421100 0.35219338 1.0 P P6 1 0.49548807 0.30419246 0.84392852 1.0 Ir Ir7 1 0.25006068 0.50000100 0.00000100 1.0 Ir Ir8 1 0.75005612 0.50000100 1.00000000 1.0 Ir Ir9 1 0.75000499 0.49999700 0.50000000 1.0