# generated using pymatgen data_Mn3B4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94416026 _cell_length_b 3.00672412 _cell_length_c 6.77655475 _cell_angle_alpha 102.81630495 _cell_angle_beta 102.54646780 _cell_angle_gamma 90.00001330 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3B4 _chemical_formula_sum 'Mn3 B4' _cell_volume 57.02338490 _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 Mn Mn0 1 0.18741203 0.18733389 0.37482207 1.0 Mn Mn1 1 0.81258797 0.81266611 0.62517793 1.0 Mn Mn2 1 0.50000000 -0.00000000 -0.00000000 1.0 B B3 1 0.93342604 0.43339320 0.86685208 1.0 B B4 1 0.06657396 0.56660680 0.13314792 1.0 B B5 1 0.35841473 0.35829544 0.71683146 1.0 B B6 1 0.64158527 0.64170456 0.28316854 1.0