# generated using pymatgen data_Ca20Cd3Ag5Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88807552 _cell_length_b 7.88807646 _cell_length_c 14.77642087 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 87.96175643 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca20Cd3Ag5Ir4 _chemical_formula_sum 'Ca20 Cd3 Ag5 Ir4' _cell_volume 918.83295526 _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 0.66136229 0.15525689 0.11243464 1.0 Ca Ca1 1 0.15867471 0.65756445 0.61501473 1.0 Ca Ca2 1 0.33863771 0.84474311 0.11243464 1.0 Ca Ca3 1 0.84132529 0.34243555 0.61501473 1.0 Ca Ca4 1 0.81983258 0.68621720 0.11423165 1.0 Ca Ca5 1 0.31670428 0.18414006 0.61596007 1.0 Ca Ca6 1 0.18016742 0.31378280 0.11423165 1.0 Ca Ca7 1 0.68329572 0.81585994 0.61596007 1.0 Ca Ca8 1 0.84474311 0.33863771 0.88756536 1.0 Ca Ca9 1 0.34243555 0.84132529 0.38498527 1.0 Ca Ca10 1 0.15525689 0.66136229 0.88756536 1.0 Ca Ca11 1 0.65756445 0.15867471 0.38498527 1.0 Ca Ca12 1 0.68621720 0.81983258 0.88576835 1.0 Ca Ca13 1 0.18414006 0.31670428 0.38403993 1.0 Ca Ca14 1 0.31378280 0.18016742 0.88576835 1.0 Ca Ca15 1 0.81585994 0.68329572 0.38403993 1.0 Ca Ca16 1 0.50000000 0.50000000 0.75359041 1.0 Ca Ca17 1 0.00000000 0.00000000 0.25120390 1.0 Ca Ca18 1 0.00000000 0.00000000 0.74879610 1.0 Ca Ca19 1 0.50000000 0.50000000 0.24640959 1.0 Cd Cd20 1 0.50000000 0.50000000 0.50000000 1.0 Cd Cd21 1 0.50000000 0.50000000 0.00000000 1.0 Cd Cd22 1 0.00000000 0.00000000 0.50000000 1.0 Ag Ag23 1 0.62266956 0.12339992 0.75107176 1.0 Ag Ag24 1 0.12339992 0.62266956 0.24892824 1.0 Ag Ag25 1 0.87660008 0.37733044 0.24892824 1.0 Ag Ag26 1 0.37733044 0.87660008 0.75107176 1.0 Ag Ag27 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir28 1 0.87988392 0.62185247 0.75155368 1.0 Ir Ir29 1 0.37814753 0.12011608 0.24844632 1.0 Ir Ir30 1 0.12011608 0.37814753 0.75155368 1.0 Ir Ir31 1 0.62185247 0.87988392 0.24844632 1.0