# generated using pymatgen data_Mg6CrB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71199900 _cell_length_b 6.02007300 _cell_length_c 10.58114100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6CrB _chemical_formula_sum 'Mg12 Cr2 B2' _cell_volume 300.15076104 _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 Mg Mg0 1 0.50000000 0.24886800 0.41927400 1.0 Mg Mg1 1 0.50000000 0.75113200 0.41927400 1.0 Mg Mg2 1 0.00000000 0.74557800 0.08726100 1.0 Mg Mg3 1 0.00000000 0.25442200 0.08726100 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32805300 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32146300 1.0 Mg Mg6 1 0.50000000 0.74886800 0.91927400 1.0 Mg Mg7 1 0.50000000 0.25113200 0.91927400 1.0 Mg Mg8 1 0.00000000 0.24557800 0.58726100 1.0 Mg Mg9 1 0.00000000 0.75442200 0.58726100 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82805300 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82146300 1.0 Cr Cr12 1 0.50000000 0.00000000 0.16978600 1.0 Cr Cr13 1 0.50000000 0.50000000 0.66978600 1.0 B B14 1 0.50000000 0.50000000 0.16762400 1.0 B B15 1 0.50000000 0.00000000 0.66762400 1.0