# generated using pymatgen data_Cr2B3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93074200 _cell_length_b 2.91180208 _cell_length_c 9.16647541 _cell_angle_alpha 99.13891749 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2B3 _chemical_formula_sum 'Cr4 B6' _cell_volume 77.23135621 _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 Cr Cr0 1 0.75000000 0.42841034 0.85682169 1.0 Cr Cr1 1 0.25000000 0.57158966 0.14317831 1.0 Cr Cr2 1 0.75000000 0.70238988 0.40477876 1.0 Cr Cr3 1 0.25000000 0.29761012 0.59522124 1.0 B B4 1 0.75000000 0.02369750 0.04739399 1.0 B B5 1 0.25000000 0.97630250 0.95260601 1.0 B B6 1 0.75000000 0.11904716 0.23809533 1.0 B B7 1 0.25000000 0.88095284 0.76190467 1.0 B B8 1 0.75000000 0.82685723 0.65371245 1.0 B B9 1 0.25000000 0.17314277 0.34628755 1.0