# generated using pymatgen data_Ca3GdAl8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.75089086 _cell_length_b 9.75089086 _cell_length_c 9.75089020 _cell_angle_alpha 33.83490351 _cell_angle_beta 33.83490351 _cell_angle_gamma 33.83490358 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3GdAl8 _chemical_formula_sum 'Ca3 Gd1 Al8' _cell_volume 256.13914089 _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 Ca Ca0 1 0.62496300 0.62496300 0.62496300 1.0 Ca Ca1 1 0.00011900 0.00011900 0.00011900 1.0 Ca Ca2 1 0.50000600 0.50000600 0.50000600 1.0 Gd Gd3 1 0.12497100 0.12497100 0.12497100 1.0 Al Al4 1 0.56264500 0.56264500 0.06293900 1.0 Al Al5 1 0.06257200 0.06257200 0.56161900 1.0 Al Al6 1 0.56264500 0.06293900 0.56264500 1.0 Al Al7 1 0.06257200 0.56161900 0.06257200 1.0 Al Al8 1 0.81239900 0.81239900 0.81239900 1.0 Al Al9 1 0.31255100 0.31255100 0.31255100 1.0 Al Al10 1 0.06293900 0.56264500 0.56264500 1.0 Al Al11 1 0.56161900 0.06257200 0.06257200 1.0