# generated using pymatgen data_La2Re3B7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79074690 _cell_length_b 7.68226949 _cell_length_c 11.66862000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Re3B7 _chemical_formula_sum 'La8 Re12 B28' _cell_volume 608.73262562 _cell_formula_units_Z 4 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 0.76371072 0.82339339 0.82224592 1.0 La La1 1 0.23628928 0.67660661 0.82224592 1.0 La La2 1 0.23628928 0.32339339 0.67775408 1.0 La La3 1 0.76371072 0.17660661 0.67775408 1.0 La La4 1 0.23628928 0.17660661 0.17775408 1.0 La La5 1 0.76371072 0.32339339 0.17775408 1.0 La La6 1 0.76371072 0.67660661 0.32224592 1.0 La La7 1 0.23628928 0.82339339 0.32224592 1.0 Re Re8 1 0.60515519 0.59076540 0.58058295 1.0 Re Re9 1 0.39484481 0.90923460 0.58058295 1.0 Re Re10 1 0.39484481 0.09076540 0.91941705 1.0 Re Re11 1 0.60515519 0.40923460 0.91941705 1.0 Re Re12 1 0.39484481 0.40923460 0.41941705 1.0 Re Re13 1 0.60515519 0.09076540 0.41941705 1.0 Re Re14 1 0.60515519 0.90923460 0.08058295 1.0 Re Re15 1 0.39484481 0.59076540 0.08058295 1.0 Re Re16 1 0.00000000 0.75000000 0.56785725 1.0 Re Re17 1 0.00000000 0.25000000 0.93214275 1.0 Re Re18 1 0.00000000 0.25000000 0.43214275 1.0 Re Re19 1 0.00000000 0.75000000 0.06785725 1.0 B B20 1 0.89586209 0.53299795 0.95914698 1.0 B B21 1 0.10413791 0.96700205 0.95914698 1.0 B B22 1 0.10413791 0.03299795 0.54085302 1.0 B B23 1 0.89586209 0.46700205 0.54085302 1.0 B B24 1 0.10413791 0.46700205 0.04085302 1.0 B B25 1 0.89586209 0.03299795 0.04085302 1.0 B B26 1 0.89586209 0.96700205 0.45914698 1.0 B B27 1 0.10413791 0.53299795 0.45914698 1.0 B B28 1 0.87670291 0.54017599 0.68297256 1.0 B B29 1 0.12329709 0.95982401 0.68297256 1.0 B B30 1 0.12329709 0.04017599 0.81702744 1.0 B B31 1 0.87670291 0.45982401 0.81702744 1.0 B B32 1 0.12329709 0.45982401 0.31702744 1.0 B B33 1 0.87670291 0.04017599 0.31702744 1.0 B B34 1 0.87670291 0.95982401 0.18297256 1.0 B B35 1 0.12329709 0.54017599 0.18297256 1.0 B B36 1 0.69690289 0.87088300 0.53833508 1.0 B B37 1 0.30309711 0.62911700 0.53833508 1.0 B B38 1 0.30309711 0.37088300 0.96166492 1.0 B B39 1 0.69690289 0.12911700 0.96166492 1.0 B B40 1 0.30309711 0.12911700 0.46166492 1.0 B B41 1 0.69690289 0.37088300 0.46166492 1.0 B B42 1 0.69690289 0.62911700 0.03833508 1.0 B B43 1 0.30309711 0.87088300 0.03833508 1.0 B B44 1 0.63288181 0.50000000 0.75000000 1.0 B B45 1 0.36711819 -0.00000000 0.75000000 1.0 B B46 1 0.36711819 0.50000000 0.25000000 1.0 B B47 1 0.63288181 -0.00000000 0.25000000 1.0