# generated using pymatgen data_UBeB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70107459 _cell_length_b 6.70107666 _cell_length_c 6.70107757 _cell_angle_alpha 113.59051468 _cell_angle_beta 113.59019718 _cell_angle_gamma 101.51414478 _symmetry_Int_Tables_number 1 _chemical_formula_structural UBeB4 _chemical_formula_sum 'U4 Be4 B16' _cell_volume 228.35461263 _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 U U0 1 0.20185293 0.20185293 0.00000000 1.0 U U1 1 0.79814279 0.79814279 0.99999900 1.0 U U2 1 0.75000043 0.25000143 0.50000000 1.0 U U3 1 0.25000143 0.75000143 0.50000000 1.0 Be Be4 1 0.50000044 0.28178738 0.78178694 1.0 Be Be5 1 0.49999944 0.71821250 0.21821306 1.0 Be Be6 1 0.71821450 0.50000144 0.21821306 1.0 Be Be7 1 0.28178838 0.50000144 0.78178694 1.0 B B8 1 0.11333620 0.28226715 0.39560030 1.0 B B9 1 0.88666585 0.71773490 0.60439970 1.0 B B10 1 0.88666585 0.28226715 0.16893094 1.0 B B11 1 0.11333620 0.71773490 0.83106906 1.0 B B12 1 0.71773490 0.88666585 0.60439970 1.0 B B13 1 0.28226615 0.11333520 0.39560030 1.0 B B14 1 0.71773490 0.11333520 0.83106906 1.0 B B15 1 0.28226615 0.88666585 0.16893094 1.0 B B16 1 0.42458561 0.42458661 0.54164243 1.0 B B17 1 0.88294417 0.88294317 0.45835757 1.0 B B18 1 0.57541476 0.11705119 0.99999900 1.0 B B19 1 0.11705219 0.57541576 0.00000100 1.0 B B20 1 0.57541476 0.57541576 0.45836357 1.0 B B21 1 0.11705219 0.11705119 0.54163643 1.0 B B22 1 0.88294417 0.42458661 0.00000100 1.0 B B23 1 0.42458561 0.88294317 0.99999900 1.0