# generated using pymatgen data_Hf18Ta5Re3P2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62047288 _cell_length_b 8.68039319 _cell_length_c 8.71240735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.23019834 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18Ta5Re3P2 _chemical_formula_sum 'Hf18 Ta5 Re3 P2' _cell_volume 563.28373163 _cell_formula_units_Z 1 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 Hf Hf0 1 0.19865131 0.80237323 0.45300946 1.0 Hf Hf1 1 0.19865131 0.39627709 0.45300946 1.0 Hf Hf2 1 0.60732207 0.80366053 0.45464847 1.0 Hf Hf3 1 0.80243450 0.19721074 0.55032634 1.0 Hf Hf4 1 0.80243450 0.60522476 0.55032634 1.0 Hf Hf5 1 0.39491178 0.19745639 0.54925745 1.0 Hf Hf6 1 0.80243450 0.19721074 0.94967366 1.0 Hf Hf7 1 0.80243450 0.60522476 0.94967366 1.0 Hf Hf8 1 0.39491178 0.19745639 0.95074255 1.0 Hf Hf9 1 0.19865131 0.80237323 0.04699054 1.0 Hf Hf10 1 0.19865131 0.39627709 0.04699054 1.0 Hf Hf11 1 0.60732207 0.80366053 0.04535153 1.0 Hf Hf12 1 0.53901497 0.46205362 0.25000000 1.0 Hf Hf13 1 0.53901497 0.07696135 0.25000000 1.0 Hf Hf14 1 0.92290548 0.46145324 0.25000000 1.0 Hf Hf15 1 0.46239403 0.54177013 0.75000000 1.0 Hf Hf16 1 0.46239403 0.92062290 0.75000000 1.0 Hf Hf17 1 0.07807092 0.53903546 0.75000000 1.0 Ta Ta18 1 0.88947864 0.11048948 0.25000000 1.0 Ta Ta19 1 0.88947864 0.77898717 0.25000000 1.0 Ta Ta20 1 0.22185163 0.11092531 0.25000000 1.0 Ta Ta21 1 0.10460368 0.88688959 0.75000000 1.0 Ta Ta22 1 0.10460368 0.21771409 0.75000000 1.0 Re Re23 1 0.77634619 0.88817309 0.75000000 1.0 Re Re24 1 0.99948523 0.99974211 0.49898527 1.0 Re Re25 1 0.99948523 0.99974211 0.00101473 1.0 P P26 1 0.33451636 0.66725918 0.25000000 1.0 P P27 1 0.66754736 0.33377268 0.75000000 1.0