# generated using pymatgen data_Lu3B7Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98211690 _cell_length_b 7.98211677 _cell_length_c 9.32419202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 155.39515655 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3B7Mo _chemical_formula_sum 'Lu6 B14 Mo2' _cell_volume 247.35114202 _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 Lu Lu0 1 0.25594869 0.74405131 0.25000000 1.0 Lu Lu1 1 0.74405131 0.25594869 0.75000000 1.0 Lu Lu2 1 0.60707699 0.39292301 0.05889600 1.0 Lu Lu3 1 0.39292301 0.60707699 0.94110400 1.0 Lu Lu4 1 0.39292301 0.60707699 0.55889600 1.0 Lu Lu5 1 0.60707699 0.39292301 0.44110400 1.0 B B6 1 0.98173784 0.01826216 0.09117741 1.0 B B7 1 0.01826216 0.98173784 0.90882259 1.0 B B8 1 0.01826216 0.98173784 0.59117741 1.0 B B9 1 0.98173784 0.01826216 0.40882259 1.0 B B10 1 0.77188462 0.22811538 0.03403787 1.0 B B11 1 0.22811538 0.77188462 0.96596213 1.0 B B12 1 0.22811538 0.77188462 0.53403787 1.0 B B13 1 0.77188462 0.22811538 0.46596213 1.0 B B14 1 0.86485579 0.13514421 0.14688051 1.0 B B15 1 0.13514421 0.86485579 0.85311949 1.0 B B16 1 0.13514421 0.86485579 0.64688051 1.0 B B17 1 0.86485579 0.13514421 0.35311949 1.0 B B18 1 0.04899284 0.95100716 0.25000000 1.0 B B19 1 0.95100716 0.04899284 0.75000000 1.0 Mo Mo20 1 0.44736543 0.55263457 0.25000000 1.0 Mo Mo21 1 0.55263457 0.44736543 0.75000000 1.0