# generated using pymatgen data_Ca3Ga5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44188360 _cell_length_b 5.78840738 _cell_length_c 14.96308132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.56231781 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Ga5 _chemical_formula_sum 'Ca6 Ga10' _cell_volume 355.27666623 _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 Ca Ca0 1 0.12881041 0.25761881 0.75000000 1.0 Ca Ca1 1 0.87118959 0.74238119 0.25000000 1.0 Ca Ca2 1 0.59049262 0.18098324 0.10958089 1.0 Ca Ca3 1 0.40950838 0.81901676 0.89041911 1.0 Ca Ca4 1 0.40950838 0.81901676 0.60958089 1.0 Ca Ca5 1 0.59049262 0.18098324 0.39041911 1.0 Ga Ga6 1 0.83491730 0.66983260 0.75000000 1.0 Ga Ga7 1 0.16508270 0.33016740 0.25000000 1.0 Ga Ga8 1 0.29269079 0.58538159 0.40019842 1.0 Ga Ga9 1 0.70730921 0.41461841 0.59980158 1.0 Ga Ga10 1 0.70730921 0.41461841 0.90019842 1.0 Ga Ga11 1 0.29269079 0.58538159 0.09980158 1.0 Ga Ga12 1 0.11615842 0.23231584 0.53344700 1.0 Ga Ga13 1 0.88384158 0.76768416 0.46655300 1.0 Ga Ga14 1 0.88384158 0.76768416 0.03344700 1.0 Ga Ga15 1 0.11615842 0.23231584 0.96655300 1.0