# generated using pymatgen data_Lu2Re3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68734497 _cell_length_b 6.68734497 _cell_length_c 12.57546683 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Re3Si4 _chemical_formula_sum 'Lu8 Re12 Si16' _cell_volume 562.38220539 _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 Lu Lu0 1 0.00798663 0.66063447 0.03059102 1.0 Lu Lu1 1 0.99201337 0.33936553 0.53059102 1.0 Lu Lu2 1 0.33936553 0.99201337 0.46940898 1.0 Lu Lu3 1 0.16063447 0.49201337 0.78059102 1.0 Lu Lu4 1 0.83936553 0.50798663 0.28059102 1.0 Lu Lu5 1 0.49201337 0.16063447 0.21940898 1.0 Lu Lu6 1 0.50798663 0.83936553 0.71940898 1.0 Lu Lu7 1 0.66063447 0.00798663 0.96940898 1.0 Re Re8 1 0.66621141 0.66621141 0.50000000 1.0 Re Re9 1 0.16621141 0.83378859 0.25000000 1.0 Re Re10 1 0.33378859 0.33378859 0.00000000 1.0 Re Re11 1 0.02141147 0.81292341 0.63122825 1.0 Re Re12 1 0.97858853 0.18707659 0.13122825 1.0 Re Re13 1 0.81292341 0.02141147 0.36877175 1.0 Re Re14 1 0.31292341 0.47858853 0.38122825 1.0 Re Re15 1 0.68707659 0.52141147 0.88122825 1.0 Re Re16 1 0.47858853 0.31292341 0.61877175 1.0 Re Re17 1 0.52141147 0.68707659 0.11877175 1.0 Re Re18 1 0.18707659 0.97858853 0.86877175 1.0 Re Re19 1 0.83378859 0.16621141 0.75000000 1.0 Si Si20 1 0.02198042 0.72456468 0.43831933 1.0 Si Si21 1 0.61573332 0.30503921 0.43360809 1.0 Si Si22 1 0.38426668 0.69496079 0.93360809 1.0 Si Si23 1 0.19496079 0.11573332 0.68360809 1.0 Si Si24 1 0.30503921 0.61573332 0.56639191 1.0 Si Si25 1 0.69496079 0.38426668 0.06639191 1.0 Si Si26 1 0.80503921 0.88426668 0.18360809 1.0 Si Si27 1 0.11573332 0.19496079 0.31639191 1.0 Si Si28 1 0.97801958 0.27543532 0.93831933 1.0 Si Si29 1 0.72456468 0.02198042 0.56168067 1.0 Si Si30 1 0.22456468 0.47801958 0.18831933 1.0 Si Si31 1 0.77543532 0.52198042 0.68831933 1.0 Si Si32 1 0.47801958 0.22456468 0.81168067 1.0 Si Si33 1 0.52198042 0.77543532 0.31168067 1.0 Si Si34 1 0.27543532 0.97801958 0.06168067 1.0 Si Si35 1 0.88426668 0.80503921 0.81639191 1.0