# generated using pymatgen data_Ca3InGeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74711687 _cell_length_b 8.12136524 _cell_length_c 13.85061300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3InGeRh2 _chemical_formula_sum 'Ca12 In4 Ge4 Rh8' _cell_volume 646.46953852 _cell_formula_units_Z 4 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 0.63784847 0.25175725 0.25000000 1.0 Ca Ca1 1 0.36215153 0.74824275 0.75000000 1.0 Ca Ca2 1 0.36215153 0.75175725 0.25000000 1.0 Ca Ca3 1 0.63784847 0.24824275 0.75000000 1.0 Ca Ca4 1 0.14794254 0.39947090 0.10002631 1.0 Ca Ca5 1 0.85205746 0.60052910 0.89997369 1.0 Ca Ca6 1 0.85205746 0.60052910 0.60002631 1.0 Ca Ca7 1 0.85205746 0.89947090 0.39997369 1.0 Ca Ca8 1 0.14794254 0.39947090 0.39997369 1.0 Ca Ca9 1 0.14794254 0.10052910 0.60002631 1.0 Ca Ca10 1 0.14794254 0.10052910 0.89997369 1.0 Ca Ca11 1 0.85205746 0.89947090 0.10002631 1.0 In In12 1 0.61964136 0.25000000 0.00000000 1.0 In In13 1 0.38035864 0.75000000 0.00000000 1.0 In In14 1 0.38035864 0.75000000 0.50000000 1.0 In In15 1 0.61964136 0.25000000 0.50000000 1.0 Ge Ge16 1 0.15073305 0.09881767 0.25000000 1.0 Ge Ge17 1 0.84926695 0.90118233 0.75000000 1.0 Ge Ge18 1 0.84926695 0.59881767 0.25000000 1.0 Ge Ge19 1 0.15073305 0.40118233 0.75000000 1.0 Rh Rh20 1 0.35042829 0.03292202 0.09943427 1.0 Rh Rh21 1 0.64957171 0.96707798 0.90056573 1.0 Rh Rh22 1 0.64957171 0.96707798 0.59943427 1.0 Rh Rh23 1 0.64957171 0.53292202 0.40056573 1.0 Rh Rh24 1 0.35042829 0.03292202 0.40056573 1.0 Rh Rh25 1 0.35042829 0.46707798 0.59943427 1.0 Rh Rh26 1 0.35042829 0.46707798 0.90056573 1.0 Rh Rh27 1 0.64957171 0.53292202 0.09943427 1.0