# generated using pymatgen data_ErNi21B6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40620563 _cell_length_b 7.40620592 _cell_length_c 7.40620579 _cell_angle_alpha 60.00000497 _cell_angle_beta 60.00000366 _cell_angle_gamma 60.00000123 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErNi21B6Mo _chemical_formula_sum 'Er1 Ni21 B6 Mo1' _cell_volume 287.25814972 _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 Er Er0 1 0.25000000 0.25000000 0.25000000 1.0 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.62035090 0.62035090 0.13894629 1.0 Ni Ni3 1 0.62035090 0.13894629 0.62035090 1.0 Ni Ni4 1 0.13894629 0.62035090 0.62035090 1.0 Ni Ni5 1 0.62035090 0.62035090 0.62035090 1.0 Ni Ni6 1 0.39149029 0.39149029 0.82553013 1.0 Ni Ni7 1 0.39149029 0.82553013 0.39149029 1.0 Ni Ni8 1 0.82553013 0.39149029 0.39149029 1.0 Ni Ni9 1 0.39149029 0.39149029 0.39149029 1.0 Ni Ni10 1 0.99729638 0.99729638 0.34216774 1.0 Ni Ni11 1 0.66323950 0.99729638 0.34216774 1.0 Ni Ni12 1 0.99729638 0.66323950 0.34216774 1.0 Ni Ni13 1 0.66323950 0.34216774 0.99729638 1.0 Ni Ni14 1 0.99729638 0.34216774 0.99729638 1.0 Ni Ni15 1 0.99729638 0.34216774 0.66323950 1.0 Ni Ni16 1 0.34216774 0.66323950 0.99729638 1.0 Ni Ni17 1 0.34216774 0.99729638 0.66323950 1.0 Ni Ni18 1 0.34216774 0.99729638 0.99729638 1.0 Ni Ni19 1 0.99729638 0.99729638 0.66323950 1.0 Ni Ni20 1 0.99729638 0.66323950 0.99729638 1.0 Ni Ni21 1 0.66323950 0.99729638 0.99729638 1.0 B B22 1 0.73191890 0.73191890 0.26808110 1.0 B B23 1 0.26808110 0.73191890 0.26808110 1.0 B B24 1 0.73191890 0.26808110 0.26808110 1.0 B B25 1 0.26808110 0.26808110 0.73191890 1.0 B B26 1 0.73191890 0.26808110 0.73191890 1.0 B B27 1 0.26808110 0.73191890 0.73191890 1.0 Mo Mo28 1 0.75000000 0.75000000 0.75000000 1.0