# generated using pymatgen data_Ca2AsPd14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87753550 _cell_length_b 8.87753550 _cell_length_c 7.08709833 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2AsPd14 _chemical_formula_sum 'Ca4 As2 Pd28' _cell_volume 558.53873088 _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 0.50000000 0.00000000 0.93852242 1.0 Ca Ca1 1 0.00000000 0.50000000 0.06147758 1.0 Ca Ca2 1 0.00000000 0.00000000 0.50000000 1.0 Ca Ca3 1 0.50000000 0.50000000 0.50000000 1.0 As As4 1 0.50000000 0.00000000 0.44834401 1.0 As As5 1 0.00000000 0.50000000 0.55165599 1.0 Pd Pd6 1 0.33117152 0.83117152 0.62130487 1.0 Pd Pd7 1 0.33117152 0.16882848 0.62130487 1.0 Pd Pd8 1 0.66882848 0.83117152 0.62130487 1.0 Pd Pd9 1 0.66882848 0.16882848 0.62130487 1.0 Pd Pd10 1 0.16882848 0.66882848 0.37869513 1.0 Pd Pd11 1 0.16882848 0.33117152 0.37869513 1.0 Pd Pd12 1 0.83117152 0.66882848 0.37869513 1.0 Pd Pd13 1 0.83117152 0.33117152 0.37869513 1.0 Pd Pd14 1 0.50000000 0.76663862 0.25357500 1.0 Pd Pd15 1 0.50000000 0.23336138 0.25357500 1.0 Pd Pd16 1 0.26663862 0.00000000 0.25357500 1.0 Pd Pd17 1 0.73336138 0.00000000 0.25357500 1.0 Pd Pd18 1 0.00000000 0.73336138 0.74642500 1.0 Pd Pd19 1 0.00000000 0.26663862 0.74642500 1.0 Pd Pd20 1 0.23336138 0.50000000 0.74642500 1.0 Pd Pd21 1 0.76663862 0.50000000 0.74642500 1.0 Pd Pd22 1 0.50000000 0.34893897 0.85680587 1.0 Pd Pd23 1 0.50000000 0.65106103 0.85680587 1.0 Pd Pd24 1 0.84893897 0.00000000 0.85680587 1.0 Pd Pd25 1 0.15106103 0.00000000 0.85680587 1.0 Pd Pd26 1 0.00000000 0.15106103 0.14319413 1.0 Pd Pd27 1 0.00000000 0.84893897 0.14319413 1.0 Pd Pd28 1 0.65106103 0.50000000 0.14319413 1.0 Pd Pd29 1 0.34893897 0.50000000 0.14319413 1.0 Pd Pd30 1 0.25000000 0.75000000 0.00000000 1.0 Pd Pd31 1 0.25000000 0.25000000 0.00000000 1.0 Pd Pd32 1 0.75000000 0.75000000 0.00000000 1.0 Pd Pd33 1 0.75000000 0.25000000 0.00000000 1.0