# generated using pymatgen data_Nd3MnAlS7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.00314552 _cell_length_b 10.00314552 _cell_length_c 6.11143300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999683 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3MnAlS7 _chemical_formula_sum 'Nd6 Mn2 Al2 S14' _cell_volume 529.59865561 _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 0.14655900 0.37672100 0.24128400 1.0 Nd Nd1 1 0.85344100 0.62327900 0.74128400 1.0 Nd Nd2 1 0.62327900 0.76983800 0.24128400 1.0 Nd Nd3 1 0.23016200 0.85344100 0.24128400 1.0 Nd Nd4 1 0.76983800 0.14655900 0.74128400 1.0 Nd Nd5 1 0.37672100 0.23016200 0.74128400 1.0 Mn Mn6 1 0.00000000 0.00000000 0.02091000 1.0 Mn Mn7 1 0.00000000 0.00000000 0.52091000 1.0 Al Al8 1 0.33333300 0.66666700 0.66295600 1.0 Al Al9 1 0.66666700 0.33333300 0.16295600 1.0 S S10 1 0.33333300 0.66666700 0.02821600 1.0 S S11 1 0.66666700 0.33333300 0.52821600 1.0 S S12 1 0.09525700 0.23944100 0.79466200 1.0 S S13 1 0.90474300 0.76055900 0.29466200 1.0 S S14 1 0.76055900 0.85581600 0.79466200 1.0 S S15 1 0.14418400 0.90474300 0.79466200 1.0 S S16 1 0.85581600 0.09525700 0.29466200 1.0 S S17 1 0.23944100 0.14418400 0.29466200 1.0 S S18 1 0.42320200 0.52085100 0.51475900 1.0 S S19 1 0.57679800 0.47914900 0.01475900 1.0 S S20 1 0.47914900 0.90235100 0.51475900 1.0 S S21 1 0.09764900 0.57679800 0.51475900 1.0 S S22 1 0.90235100 0.42320200 0.01475900 1.0 S S23 1 0.52085100 0.09764900 0.01475900 1.0