# generated using pymatgen data_GaFeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34644800 _cell_length_b 6.81194400 _cell_length_c 7.86829100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFeAs2 _chemical_formula_sum 'Ga4 Fe4 As8' _cell_volume 340.15918982 _cell_formula_units_Z 4 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 Ga Ga0 1 0.00740100 0.58285600 0.37413500 1.0 Ga Ga1 1 0.50740100 0.41714400 0.62586500 1.0 Ga Ga2 1 0.50740100 0.91714400 0.87413500 1.0 Ga Ga3 1 0.00740100 0.08285600 0.12586500 1.0 Fe Fe4 1 0.00120900 0.58380000 0.87714100 1.0 Fe Fe5 1 0.50120900 0.91620000 0.37714100 1.0 Fe Fe6 1 0.00120900 0.08380000 0.62285900 1.0 Fe Fe7 1 0.50120900 0.41620000 0.12285900 1.0 As As8 1 0.40686700 0.09518800 0.14557200 1.0 As As9 1 0.40686700 0.59518800 0.35442800 1.0 As As10 1 0.90686700 0.90481200 0.85442800 1.0 As As11 1 0.90686700 0.40481200 0.64557200 1.0 As As12 1 0.85772300 0.42885000 0.10611200 1.0 As As13 1 0.35772300 0.57115000 0.89388800 1.0 As As14 1 0.35772300 0.07115000 0.60611200 1.0 As As15 1 0.85772300 0.92885000 0.39388800 1.0