# generated using pymatgen data_Mg2B24C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94822219 _cell_length_b 8.94822219 _cell_length_c 5.07730141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2B24C _chemical_formula_sum 'Mg4 B48 C2' _cell_volume 406.54297830 _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 -0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg2 1 -0.00000000 0.50000000 0.75000000 1.0 Mg Mg3 1 0.50000000 0.00000000 0.25000000 1.0 B B4 1 0.59864600 0.80610012 0.08339058 1.0 B B5 1 0.75918960 0.07768514 0.91537355 1.0 B B6 1 0.61584983 0.37153977 0.87556302 1.0 B B7 1 0.75153569 0.73523682 0.91492739 1.0 B B8 1 0.25153569 0.76476318 0.41492739 1.0 B B9 1 0.40135400 0.19389988 0.08339058 1.0 B B10 1 0.26476318 0.75153569 0.08507261 1.0 B B11 1 0.73070864 0.40719501 0.58748380 1.0 B B12 1 0.92231486 0.75918960 0.08462645 1.0 B B13 1 0.32540891 0.92044111 0.59867233 1.0 B B14 1 0.24081040 0.92231486 0.91537355 1.0 B B15 1 0.90719501 0.23070864 0.91251620 1.0 B B16 1 0.73523682 0.24846431 0.08507261 1.0 B B17 1 0.38415017 0.62846023 0.87556302 1.0 B B18 1 0.07768514 0.24081040 0.08462645 1.0 B B19 1 0.42231486 0.74081040 0.58462645 1.0 B B20 1 0.90135400 0.30610012 0.58339058 1.0 B B21 1 0.23523682 0.25153569 0.58507261 1.0 B B22 1 0.11584983 0.12846023 0.37556302 1.0 B B23 1 0.80610012 0.40135400 0.91660942 1.0 B B24 1 0.62846023 0.61584983 0.12443698 1.0 B B25 1 0.76929136 0.90719501 0.08748380 1.0 B B26 1 0.74846431 0.23523682 0.41492739 1.0 B B27 1 0.74081040 0.57768514 0.41537355 1.0 B B28 1 0.09280499 0.76929136 0.91251620 1.0 B B29 1 0.25918960 0.42231486 0.41537355 1.0 B B30 1 0.40719501 0.26929136 0.41251620 1.0 B B31 1 0.24846431 0.26476318 0.91492739 1.0 B B32 1 0.88415017 0.87153977 0.37556302 1.0 B B33 1 0.57955889 0.17459109 0.90132767 1.0 B B34 1 0.42044111 0.82540891 0.90132767 1.0 B B35 1 0.69389988 0.90135400 0.41660942 1.0 B B36 1 0.57768514 0.25918960 0.58462645 1.0 B B37 1 0.87153977 0.11584983 0.62443698 1.0 B B38 1 0.30610012 0.09864600 0.41660942 1.0 B B39 1 0.59280499 0.73070864 0.41251620 1.0 B B40 1 0.07955889 0.32540891 0.40132767 1.0 B B41 1 0.37153977 0.38415017 0.12443698 1.0 B B42 1 0.92044111 0.67459109 0.40132767 1.0 B B43 1 0.26929136 0.59280499 0.58748380 1.0 B B44 1 0.09864600 0.69389988 0.58339058 1.0 B B45 1 0.19389988 0.59864600 0.91660942 1.0 B B46 1 0.76476318 0.74846431 0.58507261 1.0 B B47 1 0.23070864 0.09280499 0.08748380 1.0 B B48 1 0.17459109 0.42044111 0.09867233 1.0 B B49 1 0.12846023 0.88415017 0.62443698 1.0 B B50 1 0.82540891 0.57955889 0.09867233 1.0 B B51 1 0.67459109 0.07955889 0.59867233 1.0 C C52 1 -0.00000000 0.00000000 0.50000000 1.0 C C53 1 0.50000000 0.50000000 0.00000000 1.0