# generated using pymatgen data_Nd4CrS7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47709500 _cell_length_b 10.22441039 _cell_length_c 10.23422129 _cell_angle_alpha 120.01484781 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4CrS7 _chemical_formula_sum 'Nd8 Cr2 S14' _cell_volume 586.86603800 _cell_formula_units_Z 2 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 0.47815600 0.99992300 0.00011400 1.0 Nd Nd1 1 0.97815600 0.00007700 0.99988600 1.0 Nd Nd2 1 0.25184800 0.25331900 0.39571300 1.0 Nd Nd3 1 0.25227100 0.60417300 0.85720500 1.0 Nd Nd4 1 0.25207200 0.14217200 0.74587900 1.0 Nd Nd5 1 0.75184800 0.74668100 0.60428700 1.0 Nd Nd6 1 0.75227100 0.39582700 0.14279500 1.0 Nd Nd7 1 0.75207200 0.85782800 0.25412100 1.0 Cr Cr8 1 0.83501500 0.33197200 0.66678700 1.0 Cr Cr9 1 0.33501500 0.66802800 0.33321300 1.0 S S10 1 0.72533900 0.16308400 0.25634900 1.0 S S11 1 0.72583300 0.74408400 0.90713100 1.0 S S12 1 0.72566500 0.09386800 0.83593200 1.0 S S13 1 0.22533900 0.83691600 0.74365100 1.0 S S14 1 0.22583300 0.25591600 0.09286900 1.0 S S15 1 0.22566500 0.90613200 0.16406800 1.0 S S16 1 0.99303500 0.10014800 0.51292400 1.0 S S17 1 0.99324900 0.48707600 0.58774400 1.0 S S18 1 0.99332000 0.41274600 0.89923800 1.0 S S19 1 0.49303500 0.89985200 0.48707600 1.0 S S20 1 0.49324900 0.51292400 0.41225600 1.0 S S21 1 0.49332000 0.58725400 0.10076200 1.0 S S22 1 0.46419700 0.33368300 0.66687500 1.0 S S23 1 0.96419700 0.66631700 0.33312500 1.0