# generated using pymatgen data_MgNi21B6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36203328 _cell_length_b 7.36203285 _cell_length_c 7.36203387 _cell_angle_alpha 59.99999544 _cell_angle_beta 59.99999736 _cell_angle_gamma 59.99999632 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi21B6Mo _chemical_formula_sum 'Mg1 Ni21 B6 Mo1' _cell_volume 282.14886346 _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 Mg Mg0 1 0.25000000 0.25000000 0.25000000 1.0 Ni Ni1 1 0.34102520 0.99835620 0.99835620 1.0 Ni Ni2 1 0.66226340 0.99835620 0.99835620 1.0 Ni Ni3 1 0.99835620 0.34102520 0.66226340 1.0 Ni Ni4 1 0.99835620 0.66226340 0.34102520 1.0 Ni Ni5 1 0.99835620 0.34102520 0.99835620 1.0 Ni Ni6 1 0.66226340 0.99835620 0.34102520 1.0 Ni Ni7 1 0.99835620 0.66226340 0.99835620 1.0 Ni Ni8 1 0.34102520 0.99835620 0.66226340 1.0 Ni Ni9 1 0.99835620 0.99835620 0.34102520 1.0 Ni Ni10 1 0.99835620 0.99835620 0.66226340 1.0 Ni Ni11 1 0.66226340 0.34102520 0.99835620 1.0 Ni Ni12 1 0.34102520 0.66226340 0.99835620 1.0 Ni Ni13 1 0.38658486 0.38658486 0.38658486 1.0 Ni Ni14 1 0.61884870 0.61884870 0.61884870 1.0 Ni Ni15 1 0.38658486 0.38658486 0.84024542 1.0 Ni Ni16 1 0.38658486 0.84024542 0.38658486 1.0 Ni Ni17 1 0.61884870 0.61884870 0.14345390 1.0 Ni Ni18 1 0.61884870 0.14345390 0.61884870 1.0 Ni Ni19 1 0.84024542 0.38658486 0.38658486 1.0 Ni Ni20 1 0.14345390 0.61884870 0.61884870 1.0 Ni Ni21 1 0.00000000 0.00000000 0.00000000 1.0 B B22 1 0.72968483 0.27031517 0.27031517 1.0 B B23 1 0.27031517 0.72968483 0.72968483 1.0 B B24 1 0.27031517 0.72968483 0.27031517 1.0 B B25 1 0.72968483 0.27031517 0.72968483 1.0 B B26 1 0.27031517 0.27031517 0.72968483 1.0 B B27 1 0.72968483 0.72968483 0.27031517 1.0 Mo Mo28 1 0.75000000 0.75000000 0.75000000 1.0