# generated using pymatgen data_Pr4Ga3NiI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27115529 _cell_length_b 4.27115565 _cell_length_c 17.22583698 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998959 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4Ga3NiI2 _chemical_formula_sum 'Pr4 Ga3 Ni1 I2' _cell_volume 272.14588373 _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 Pr Pr0 1 0.00000000 0.00000000 0.60318607 1.0 Pr Pr1 1 0.00000000 0.00000000 0.39964053 1.0 Pr Pr2 1 0.00000000 0.00000000 0.11827329 1.0 Pr Pr3 1 0.00000000 0.00000000 0.88076797 1.0 Ga Ga4 1 0.66666700 0.33333300 0.50317150 1.0 Ga Ga5 1 0.33333300 0.66666700 0.00997610 1.0 Ga Ga6 1 0.66666700 0.33333300 0.98907250 1.0 Ni Ni7 1 0.33333300 0.66666700 0.49746536 1.0 I I8 1 0.66666700 0.33333300 0.25105078 1.0 I I9 1 0.33333300 0.66666700 0.74739588 1.0