# generated using pymatgen data_Nb4CoS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71556378 _cell_length_b 6.71556389 _cell_length_c 12.00529236 _cell_angle_alpha 90.00000634 _cell_angle_beta 90.00004694 _cell_angle_gamma 119.99998776 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4CoS8 _chemical_formula_sum 'Nb8 Co2 S16' _cell_volume 468.88721335 _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 Nb Nb0 1 0.01267063 0.50633480 0.24998215 1.0 Nb Nb1 1 0.98732606 0.49366278 0.75001403 1.0 Nb Nb2 1 0.49366532 0.50633550 0.24998211 1.0 Nb Nb3 1 0.50633700 0.49366426 0.75001432 1.0 Nb Nb4 1 0.49366452 0.98732964 0.24998208 1.0 Nb Nb5 1 0.50633628 0.01267312 0.75001450 1.0 Nb Nb6 1 0.00000030 0.00000007 0.24998316 1.0 Nb Nb7 1 -0.00000002 0.00000012 0.75001820 1.0 Co Co8 1 0.00000040 0.00000029 0.99999820 1.0 Co Co9 1 0.00000025 -0.00000006 0.50000519 1.0 S S10 1 0.33339579 0.16669769 0.12048320 1.0 S S11 1 0.66659643 0.83329832 0.87955584 1.0 S S12 1 0.83330238 0.16669789 0.12048317 1.0 S S13 1 0.66659074 0.83329555 0.62046211 1.0 S S14 1 0.16670187 0.83329777 0.87955563 1.0 S S15 1 0.33340498 0.16670229 0.37950168 1.0 S S16 1 0.83330216 0.66660421 0.12048334 1.0 S S17 1 0.16670482 0.83329525 0.62046190 1.0 S S18 1 0.16670185 0.33340449 0.87955544 1.0 S S19 1 0.83329792 0.16670253 0.37950176 1.0 S S20 1 0.16670467 0.33340974 0.62046195 1.0 S S21 1 0.83329769 0.66659512 0.37950164 1.0 S S22 1 0.33333334 0.66666655 0.11659316 1.0 S S23 1 0.66666653 0.33333353 0.88344198 1.0 S S24 1 0.66666561 0.33333283 0.61657473 1.0 S S25 1 0.33333347 0.66666672 0.38338853 1.0