# generated using pymatgen data_Pr3GaFeS7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.10158009 _cell_length_b 10.10158009 _cell_length_c 6.03177600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000058 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3GaFeS7 _chemical_formula_sum 'Pr6 Ga2 Fe2 S14' _cell_volume 533.03344172 _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 Pr Pr0 1 0.85597900 0.22819800 0.29241300 1.0 Pr Pr1 1 0.77180200 0.62778000 0.29241300 1.0 Pr Pr2 1 0.37222000 0.14402100 0.29241300 1.0 Pr Pr3 1 0.14402100 0.77180200 0.79241300 1.0 Pr Pr4 1 0.22819800 0.37222000 0.79241300 1.0 Pr Pr5 1 0.62778000 0.85597900 0.79241300 1.0 Ga Ga6 1 0.33333300 0.66666700 0.37281800 1.0 Ga Ga7 1 0.66666700 0.33333300 0.87281800 1.0 Fe Fe8 1 0.00000000 0.00000000 0.50253300 1.0 Fe Fe9 1 0.00000000 0.00000000 0.00253300 1.0 S S10 1 0.14165000 0.23381500 0.24136900 1.0 S S11 1 0.76618500 0.90783500 0.24136900 1.0 S S12 1 0.09216500 0.85835000 0.24136900 1.0 S S13 1 0.85835000 0.76618500 0.74136900 1.0 S S14 1 0.23381500 0.09216500 0.74136900 1.0 S S15 1 0.90783500 0.14165000 0.74136900 1.0 S S16 1 0.57710400 0.09492400 0.02153900 1.0 S S17 1 0.90507600 0.48218000 0.02153900 1.0 S S18 1 0.51782000 0.42289600 0.02153900 1.0 S S19 1 0.42289600 0.90507600 0.52153900 1.0 S S20 1 0.09492400 0.51782000 0.52153900 1.0 S S21 1 0.48218000 0.57710400 0.52153900 1.0 S S22 1 0.33333300 0.66666700 0.00082400 1.0 S S23 1 0.66666700 0.33333300 0.50082400 1.0