# generated using pymatgen data_Si2Ni4BMo6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70810623 _cell_length_b 7.70810569 _cell_length_c 7.70810577 _cell_angle_alpha 59.99999965 _cell_angle_beta 60.00000197 _cell_angle_gamma 59.99999417 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Ni4BMo6 _chemical_formula_sum 'Si4 Ni8 B2 Mo12' _cell_volume 323.83814662 _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 Si Si0 1 0.62500000 0.62500000 0.12500000 1.0 Si Si1 1 0.62500000 0.12500000 0.62500000 1.0 Si Si2 1 0.12500000 0.62500000 0.62500000 1.0 Si Si3 1 0.62500000 0.62500000 0.62500000 1.0 Ni Ni4 1 0.41834108 0.41834108 0.74497476 1.0 Ni Ni5 1 0.41834108 0.74497476 0.41834108 1.0 Ni Ni6 1 0.74497476 0.41834108 0.41834108 1.0 Ni Ni7 1 0.41834108 0.41834108 0.41834108 1.0 Ni Ni8 1 0.83165892 0.83165892 0.50502524 1.0 Ni Ni9 1 0.83165892 0.50502524 0.83165892 1.0 Ni Ni10 1 0.50502524 0.83165892 0.83165892 1.0 Ni Ni11 1 0.83165892 0.83165892 0.83165892 1.0 B B12 1 0.25000000 0.25000000 0.25000000 1.0 B B13 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo14 1 0.05137059 0.05137059 0.44862941 1.0 Mo Mo15 1 0.44862941 0.05137059 0.44862941 1.0 Mo Mo16 1 0.05137059 0.44862941 0.44862941 1.0 Mo Mo17 1 0.44862941 0.44862941 0.05137059 1.0 Mo Mo18 1 0.05137059 0.44862941 0.05137059 1.0 Mo Mo19 1 0.44862941 0.05137059 0.05137059 1.0 Mo Mo20 1 0.19862941 0.19862941 0.80137059 1.0 Mo Mo21 1 0.80137059 0.19862941 0.80137059 1.0 Mo Mo22 1 0.19862941 0.80137059 0.80137059 1.0 Mo Mo23 1 0.80137059 0.80137059 0.19862941 1.0 Mo Mo24 1 0.19862941 0.80137059 0.19862941 1.0 Mo Mo25 1 0.80137059 0.19862941 0.19862941 1.0