# generated using pymatgen data_Nd3SiCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.10892901 _cell_length_b 10.10892910 _cell_length_c 10.10892936 _cell_angle_alpha 109.47122311 _cell_angle_beta 109.47122329 _cell_angle_gamma 109.47121503 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3SiCl3 _chemical_formula_sum 'Nd12 Si4 Cl12' _cell_volume 795.23149374 _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 Nd Nd0 1 0.49381714 0.75000000 0.00618286 1.0 Nd Nd1 1 0.75000000 0.24381714 0.25618286 1.0 Nd Nd2 1 0.24381714 0.25618286 0.75000000 1.0 Nd Nd3 1 0.48763627 0.49381714 0.24381714 1.0 Nd Nd4 1 0.25618286 0.00618286 0.01236373 1.0 Nd Nd5 1 0.24381714 0.48763627 0.49381714 1.0 Nd Nd6 1 0.00618286 0.01236373 0.25618286 1.0 Nd Nd7 1 0.00618286 0.49381714 0.75000000 1.0 Nd Nd8 1 0.49381714 0.24381714 0.48763627 1.0 Nd Nd9 1 0.75000000 0.00618286 0.49381714 1.0 Nd Nd10 1 0.01236373 0.25618286 0.00618286 1.0 Nd Nd11 1 0.25618286 0.75000000 0.24381714 1.0 Si Si12 1 0.25000000 0.25000000 0.25000000 1.0 Si Si13 1 0.00000000 0.25000000 0.50000000 1.0 Si Si14 1 0.25000000 0.50000000 0.00000000 1.0 Si Si15 1 0.50000000 0.00000000 0.25000000 1.0 Cl Cl16 1 0.99774220 0.99548441 0.74774220 1.0 Cl Cl17 1 0.75225780 0.74774220 0.25000000 1.0 Cl Cl18 1 0.99548441 0.74774220 0.99774220 1.0 Cl Cl19 1 0.25000000 0.99774220 0.50225780 1.0 Cl Cl20 1 0.74774220 0.99774220 0.99548441 1.0 Cl Cl21 1 0.50225780 0.25000000 0.99774220 1.0 Cl Cl22 1 0.74774220 0.25000000 0.75225780 1.0 Cl Cl23 1 0.50225780 0.75225780 0.50451559 1.0 Cl Cl24 1 0.75225780 0.50451559 0.50225780 1.0 Cl Cl25 1 0.25000000 0.75225780 0.74774220 1.0 Cl Cl26 1 0.50451559 0.50225780 0.75225780 1.0 Cl Cl27 1 0.99774220 0.50225780 0.25000000 1.0