# generated using pymatgen data_Lu2Hf3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19194984 _cell_length_b 7.19194984 _cell_length_c 13.16612986 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Hf3Si4 _chemical_formula_sum 'Lu8 Hf12 Si16' _cell_volume 681.00677783 _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 0.49483892 0.15547618 0.53475242 1.0 Lu Lu1 1 0.50516108 0.84452382 0.03475242 1.0 Lu Lu2 1 0.65547618 0.00516108 0.28475242 1.0 Lu Lu3 1 0.34452382 0.99483892 0.78475242 1.0 Lu Lu4 1 0.84452382 0.50516108 0.96524758 1.0 Lu Lu5 1 0.15547618 0.49483892 0.46524758 1.0 Lu Lu6 1 0.00516108 0.65547618 0.71524758 1.0 Lu Lu7 1 0.99483892 0.34452382 0.21524758 1.0 Hf Hf8 1 0.67568742 0.32431258 0.75000000 1.0 Hf Hf9 1 0.32431258 0.67568742 0.25000000 1.0 Hf Hf10 1 0.82431258 0.82431258 0.50000000 1.0 Hf Hf11 1 0.17568742 0.17568742 0.00000000 1.0 Hf Hf12 1 0.49742445 0.35395811 0.12440224 1.0 Hf Hf13 1 0.50257555 0.64604189 0.62440224 1.0 Hf Hf14 1 0.85395811 0.00257555 0.87440224 1.0 Hf Hf15 1 0.14604189 0.99742445 0.37440224 1.0 Hf Hf16 1 0.64604189 0.50257555 0.37559776 1.0 Hf Hf17 1 0.35395811 0.49742445 0.87559776 1.0 Hf Hf18 1 0.00257555 0.85395811 0.12559776 1.0 Hf Hf19 1 0.99742445 0.14604189 0.62559776 1.0 Si Si20 1 0.79606365 0.14292168 0.06792737 1.0 Si Si21 1 0.20393635 0.85707832 0.56792737 1.0 Si Si22 1 0.64292168 0.70393635 0.81792737 1.0 Si Si23 1 0.35707832 0.29606365 0.31792737 1.0 Si Si24 1 0.85707832 0.20393635 0.43207263 1.0 Si Si25 1 0.14292168 0.79606365 0.93207263 1.0 Si Si26 1 0.70393635 0.64292168 0.18207263 1.0 Si Si27 1 0.29606365 0.35707832 0.68207263 1.0 Si Si28 1 0.54857114 0.20103648 0.93574505 1.0 Si Si29 1 0.45142886 0.79896352 0.43574505 1.0 Si Si30 1 0.70103648 0.95142886 0.68574505 1.0 Si Si31 1 0.29896352 0.04857114 0.18574505 1.0 Si Si32 1 0.79896352 0.45142886 0.56425495 1.0 Si Si33 1 0.20103648 0.54857114 0.06425495 1.0 Si Si34 1 0.95142886 0.70103648 0.31425495 1.0 Si Si35 1 0.04857114 0.29896352 0.81425495 1.0