# generated using pymatgen data_ErSc(Ni4B)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86454109 _cell_length_b 4.86454118 _cell_length_c 6.84816934 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999279 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErSc(Ni4B)2 _chemical_formula_sum 'Er1 Sc1 Ni8 B2' _cell_volume 140.34240503 _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 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.33333300 0.66666700 0.00000000 1.0 Ni Ni3 1 0.66666700 0.33333300 0.00000000 1.0 Ni Ni4 1 0.50000000 0.00000000 0.29310873 1.0 Ni Ni5 1 0.50000000 0.50000000 0.29310873 1.0 Ni Ni6 1 0.00000000 0.50000000 0.29310873 1.0 Ni Ni7 1 0.50000000 0.00000000 0.70689127 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70689127 1.0 Ni Ni9 1 0.00000000 0.50000000 0.70689127 1.0 B B10 1 0.66666700 0.33333300 0.50000000 1.0 B B11 1 0.33333300 0.66666700 0.50000000 1.0