# generated using pymatgen data_Ce4Co3NiB16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85851652 _cell_length_b 6.85851521 _cell_length_c 6.85851587 _cell_angle_alpha 112.69624092 _cell_angle_beta 112.64867557 _cell_angle_gamma 103.24262877 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce4Co3NiB16 _chemical_formula_sum 'Ce4 Co3 Ni1 B16' _cell_volume 246.18396459 _cell_formula_units_Z 1 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 Ce Ce0 1 0.79391962 0.79247351 0.00144611 1.0 Ce Ce1 1 0.20897360 0.20752649 0.00144611 1.0 Ce Ce2 1 0.74603598 0.24799590 0.49804008 1.0 Ce Ce3 1 0.25004417 0.75200410 0.49804008 1.0 Co Co4 1 0.72829037 0.50000000 0.22829037 1.0 Co Co5 1 0.50022119 0.72682283 0.22704402 1.0 Co Co6 1 0.50022119 0.27317717 0.77339936 1.0 Ni Ni7 1 0.27182009 0.50000000 0.77182009 1.0 B B8 1 0.27651338 0.11158799 0.38810237 1.0 B B9 1 0.72288396 0.88763946 0.61052242 1.0 B B10 1 0.27651338 0.88841201 0.16492539 1.0 B B11 1 0.72288396 0.11236054 0.83524551 1.0 B B12 1 0.11154942 0.72550167 0.83705109 1.0 B B13 1 0.88856136 0.27574860 0.16430997 1.0 B B14 1 0.11154942 0.27449833 0.38604774 1.0 B B15 1 0.88856136 0.72425140 0.61281376 1.0 B B16 1 0.11774101 0.11608616 0.53564563 1.0 B B17 1 0.58065671 0.58014666 0.46291824 1.0 B B18 1 0.11774101 0.58209438 0.00165385 1.0 B B19 1 0.58065671 0.11773947 0.00051105 1.0 B B20 1 0.88277058 0.88226053 0.46291824 1.0 B B21 1 0.41955947 0.41790562 0.53564563 1.0 B B22 1 0.88277058 0.41985334 0.00051105 1.0 B B23 1 0.41955947 0.88391384 0.00165385 1.0