# generated using pymatgen data_HoThReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76980850 _cell_length_b 9.24114927 _cell_length_c 11.66392694 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoThReB6 _chemical_formula_sum 'Ho4 Th4 Re4 B24' _cell_volume 406.34045758 _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 Ho Ho0 1 0.00000000 0.94497550 0.37298241 1.0 Ho Ho1 1 0.00000000 0.05502450 0.62701759 1.0 Ho Ho2 1 0.00000000 0.44497550 0.12701759 1.0 Ho Ho3 1 0.00000000 0.55502450 0.87298241 1.0 Th Th4 1 0.00000000 0.32189625 0.41404860 1.0 Th Th5 1 0.00000000 0.67810375 0.58595140 1.0 Th Th6 1 0.00000000 0.82189625 0.08595140 1.0 Th Th7 1 0.00000000 0.17810375 0.91404860 1.0 Re Re8 1 0.00000000 0.63940402 0.31979080 1.0 Re Re9 1 0.00000000 0.36059598 0.68020920 1.0 Re Re10 1 0.00000000 0.13940402 0.18020920 1.0 Re Re11 1 0.00000000 0.86059598 0.81979080 1.0 B B12 1 0.50000000 0.55641494 0.42935301 1.0 B B13 1 0.50000000 0.44358506 0.57064699 1.0 B B14 1 0.50000000 0.05641494 0.07064699 1.0 B B15 1 0.50000000 0.94358506 0.92935301 1.0 B B16 1 0.50000000 0.74969439 0.41674506 1.0 B B17 1 0.50000000 0.25030561 0.58325494 1.0 B B18 1 0.50000000 0.24969439 0.08325494 1.0 B B19 1 0.50000000 0.75030561 0.91674506 1.0 B B20 1 0.50000000 0.79080906 0.26694513 1.0 B B21 1 0.50000000 0.20919094 0.73305487 1.0 B B22 1 0.50000000 0.29080906 0.23305487 1.0 B B23 1 0.50000000 0.70919094 0.76694513 1.0 B B24 1 0.50000000 0.63062494 0.18624233 1.0 B B25 1 0.50000000 0.36937506 0.81375767 1.0 B B26 1 0.50000000 0.13062494 0.31375767 1.0 B B27 1 0.50000000 0.86937506 0.68624233 1.0 B B28 1 0.50000000 0.98557561 0.21429932 1.0 B B29 1 0.50000000 0.01442439 0.78570068 1.0 B B30 1 0.50000000 0.48557561 0.28570068 1.0 B B31 1 0.50000000 0.51442439 0.71429932 1.0 B B32 1 0.50000000 0.60440664 0.02869913 1.0 B B33 1 0.50000000 0.39559336 0.97130087 1.0 B B34 1 0.50000000 0.10440664 0.47130087 1.0 B B35 1 0.50000000 0.89559336 0.52869913 1.0