# generated using pymatgen data_Ca3Ho(Al3Pd)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60899973 _cell_length_b 7.60458208 _cell_length_c 9.45852085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.56833271 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Ho(Al3Pd)6 _chemical_formula_sum 'Ca3 Ho1 Al18 Pd6' _cell_volume 476.02468028 _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 0.99422582 0.66959711 0.25000000 1.0 Ca Ca1 1 0.00428615 0.32989555 0.75000000 1.0 Ca Ca2 1 0.67187347 0.99573088 0.25000000 1.0 Ho Ho3 1 0.32960665 0.00288918 0.75000000 1.0 Al Al4 1 0.13355405 0.13347642 0.25000000 1.0 Al Al5 1 0.87113709 0.86822133 0.75000000 1.0 Al Al6 1 0.00228087 0.33506826 0.07461477 1.0 Al Al7 1 0.99837659 0.66502254 0.92323272 1.0 Al Al8 1 0.99837659 0.66502254 0.57676728 1.0 Al Al9 1 0.33492692 0.00167812 0.42469972 1.0 Al Al10 1 0.00228087 0.33506826 0.42538523 1.0 Al Al11 1 0.66519663 0.99885163 0.57656702 1.0 Al Al12 1 0.66519663 0.99885163 0.92343298 1.0 Al Al13 1 0.33492692 0.00167812 0.07530028 1.0 Al Al14 1 0.33344153 0.33271345 0.55592089 1.0 Al Al15 1 0.66504768 0.66523869 0.44864361 1.0 Al Al16 1 0.66504768 0.66523869 0.05135639 1.0 Al Al17 1 0.33344153 0.33271345 0.94407911 1.0 Al Al18 1 0.34136267 0.54636969 0.25000000 1.0 Al Al19 1 0.65522505 0.45241725 0.75000000 1.0 Al Al20 1 0.54396501 0.34142226 0.25000000 1.0 Al Al21 1 0.45652316 0.66373094 0.75000000 1.0 Pd Pd22 1 0.67100240 0.32714293 0.99899110 1.0 Pd Pd23 1 0.32780124 0.67227878 0.99862445 1.0 Pd Pd24 1 0.32780124 0.67227878 0.50137555 1.0 Pd Pd25 1 0.67100240 0.32714293 0.50100890 1.0 Pd Pd26 1 0.00104907 0.00013030 0.99888823 1.0 Pd Pd27 1 0.00104907 0.00013030 0.50111177 1.0