# generated using pymatgen data_LaBeCu12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09401232 _cell_length_b 8.09401232 _cell_length_c 8.09401232 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeCu12 _chemical_formula_sum 'La2 Be2 Cu24' _cell_volume 374.95278682 _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 La La0 1 0.25000000 0.25000000 0.25000000 1.0 La La1 1 0.75000000 0.75000000 0.75000000 1.0 Be Be2 1 0.50000000 0.50000000 0.50000000 1.0 Be Be3 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu4 1 0.79169400 0.56121200 0.20830600 1.0 Cu Cu5 1 0.20830600 0.43878800 0.79169400 1.0 Cu Cu6 1 0.56121200 0.79169400 0.43878800 1.0 Cu Cu7 1 0.43878800 0.20830600 0.56121200 1.0 Cu Cu8 1 0.29169400 0.93878800 0.70830600 1.0 Cu Cu9 1 0.70830600 0.06121200 0.29169400 1.0 Cu Cu10 1 0.93878800 0.29169400 0.06121200 1.0 Cu Cu11 1 0.06121200 0.70830600 0.93878800 1.0 Cu Cu12 1 0.20830600 0.79169400 0.56121200 1.0 Cu Cu13 1 0.79169400 0.20830600 0.43878800 1.0 Cu Cu14 1 0.43878800 0.56121200 0.79169400 1.0 Cu Cu15 1 0.56121200 0.43878800 0.20830600 1.0 Cu Cu16 1 0.70830600 0.29169400 0.93878800 1.0 Cu Cu17 1 0.29169400 0.70830600 0.06121200 1.0 Cu Cu18 1 0.06121200 0.93878800 0.29169400 1.0 Cu Cu19 1 0.93878800 0.06121200 0.70830600 1.0 Cu Cu20 1 0.56121200 0.20830600 0.79169400 1.0 Cu Cu21 1 0.43878800 0.79169400 0.20830600 1.0 Cu Cu22 1 0.79169400 0.43878800 0.56121200 1.0 Cu Cu23 1 0.20830600 0.56121200 0.43878800 1.0 Cu Cu24 1 0.93878800 0.70830600 0.29169400 1.0 Cu Cu25 1 0.06121200 0.29169400 0.70830600 1.0 Cu Cu26 1 0.29169400 0.06121200 0.93878800 1.0 Cu Cu27 1 0.70830600 0.93878800 0.06121200 1.0