# generated using pymatgen data_CaNd(Cu9Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07487649 _cell_length_b 8.07487642 _cell_length_c 8.07487602 _cell_angle_alpha 120.31443910 _cell_angle_beta 120.31443478 _cell_angle_gamma 89.45623172 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNd(Cu9Si4)2 _chemical_formula_sum 'Ca1 Nd1 Cu18 Si8' _cell_volume 370.51215520 _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 0.75000000 0.75000000 0.00000000 1.0 Nd Nd1 1 0.25000000 0.25000000 0.00000000 1.0 Cu Cu2 1 0.93526025 0.20294605 0.13767715 1.0 Cu Cu3 1 0.20294605 0.06526889 0.26768479 1.0 Cu Cu4 1 0.79758410 0.93526025 0.73231521 1.0 Cu Cu5 1 0.43473111 0.29705395 0.73231521 1.0 Cu Cu6 1 0.06526889 0.79758410 0.86232285 1.0 Cu Cu7 1 0.80578613 0.05816329 0.49859595 1.0 Cu Cu8 1 0.55956634 0.30719018 0.50140405 1.0 Cu Cu9 1 0.19280982 0.94043366 0.49859595 1.0 Cu Cu10 1 0.44183671 0.69421387 0.50140405 1.0 Cu Cu11 1 0.94043366 0.44183671 0.74762184 1.0 Cu Cu12 1 0.69421387 0.19280982 0.25237816 1.0 Cu Cu13 1 0.05816329 0.55956634 0.25237816 1.0 Cu Cu14 1 0.70241590 0.43473111 0.13767715 1.0 Cu Cu15 1 0.56473975 0.70241590 0.26768479 1.0 Cu Cu16 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu17 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu18 1 0.30719018 0.80578613 0.74762184 1.0 Cu Cu19 1 0.29705395 0.56473975 0.86232285 1.0 Si Si20 1 0.79230065 0.29198616 0.85142717 1.0 Si Si21 1 0.55912652 0.05944101 0.85142717 1.0 Si Si22 1 0.05944101 0.20801384 0.50031349 1.0 Si Si23 1 0.29198616 0.44055899 0.49968651 1.0 Si Si24 1 0.94087348 0.79230065 0.50031349 1.0 Si Si25 1 0.44055899 0.94087348 0.14857283 1.0 Si Si26 1 0.20801384 0.70769935 0.14857283 1.0 Si Si27 1 0.70769935 0.55912652 0.49968651 1.0