# generated using pymatgen data_Nd3CoCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.95207995 _cell_length_b 9.95207914 _cell_length_c 9.95207915 _cell_angle_alpha 109.47122065 _cell_angle_beta 109.47121901 _cell_angle_gamma 109.47121823 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3CoCl3 _chemical_formula_sum 'Nd12 Co4 Cl12' _cell_volume 758.78655972 _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 0.47483710 0.48741955 0.23741955 1.0 Nd Nd1 1 0.75000000 0.23741955 0.26258045 1.0 Nd Nd2 1 0.75000000 0.01258045 0.48741955 1.0 Nd Nd3 1 0.23741955 0.47483710 0.48741955 1.0 Nd Nd4 1 0.26258045 0.75000000 0.23741955 1.0 Nd Nd5 1 0.02516290 0.26258045 0.01258045 1.0 Nd Nd6 1 0.01258045 0.02516290 0.26258045 1.0 Nd Nd7 1 0.48741955 0.75000000 0.01258045 1.0 Nd Nd8 1 0.48741955 0.23741955 0.47483710 1.0 Nd Nd9 1 0.01258045 0.48741955 0.75000000 1.0 Nd Nd10 1 0.26258045 0.01258045 0.02516290 1.0 Nd Nd11 1 0.23741955 0.26258045 0.75000000 1.0 Co Co12 1 0.25000000 0.25000000 0.25000000 1.0 Co Co13 1 0.50000000 0.00000000 0.25000000 1.0 Co Co14 1 0.00000000 0.25000000 0.50000000 1.0 Co Co15 1 0.25000000 0.50000000 0.00000000 1.0 Cl Cl16 1 0.25000000 0.75520412 0.74479588 1.0 Cl Cl17 1 0.51040824 0.50520412 0.75520412 1.0 Cl Cl18 1 0.98959176 0.74479588 0.99479588 1.0 Cl Cl19 1 0.74479588 0.25000000 0.75520412 1.0 Cl Cl20 1 0.99479588 0.98959176 0.74479588 1.0 Cl Cl21 1 0.25000000 0.99479588 0.50520412 1.0 Cl Cl22 1 0.75520412 0.51040824 0.50520412 1.0 Cl Cl23 1 0.50520412 0.25000000 0.99479588 1.0 Cl Cl24 1 0.75520412 0.74479588 0.25000000 1.0 Cl Cl25 1 0.74479588 0.99479588 0.98959176 1.0 Cl Cl26 1 0.99479588 0.50520412 0.25000000 1.0 Cl Cl27 1 0.50520412 0.75520412 0.51040824 1.0