# generated using pymatgen data_Zr24P8H _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39855900 _cell_length_b 10.86672500 _cell_length_c 10.86776888 _cell_angle_alpha 89.92676020 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr24P8H _chemical_formula_sum 'Zr24 P8 H1' _cell_volume 637.55340243 _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 Zr Zr0 1 0.78842100 0.39263900 0.91530900 1.0 Zr Zr1 1 0.78842100 0.60736100 0.08469100 1.0 Zr Zr2 1 0.28914800 0.58456000 0.89303700 1.0 Zr Zr3 1 0.28914800 0.41544000 0.10696300 1.0 Zr Zr4 1 0.21994100 0.10989500 0.58672600 1.0 Zr Zr5 1 0.21994100 0.89010500 0.41327400 1.0 Zr Zr6 1 0.71301800 0.91324000 0.61058600 1.0 Zr Zr7 1 0.71301800 0.08676000 0.38941400 1.0 Zr Zr8 1 0.97505500 0.02736900 0.86323500 1.0 Zr Zr9 1 0.97505500 0.97263100 0.13676500 1.0 Zr Zr10 1 0.47464300 0.63795900 0.52699200 1.0 Zr Zr11 1 0.47464300 0.36204100 0.47300800 1.0 Zr Zr12 1 0.03068800 0.47357400 0.63735400 1.0 Zr Zr13 1 0.03068800 0.52642600 0.36264600 1.0 Zr Zr14 1 0.52932500 0.86258700 0.97284900 1.0 Zr Zr15 1 0.52932500 0.13741300 0.02715100 1.0 Zr Zr16 1 0.26694400 0.28515400 0.82060900 1.0 Zr Zr17 1 0.26694400 0.71484600 0.17939100 1.0 Zr Zr18 1 0.76594000 0.67960500 0.78531200 1.0 Zr Zr19 1 0.76594000 0.32039500 0.21468800 1.0 Zr Zr20 1 0.73888800 0.21684000 0.68069300 1.0 Zr Zr21 1 0.73888800 0.78316000 0.31930700 1.0 Zr Zr22 1 0.23455400 0.81922800 0.71681200 1.0 Zr Zr23 1 0.23455400 0.18077200 0.28318800 1.0 P P24 1 0.46660400 0.04107000 0.79387200 1.0 P P25 1 0.46660400 0.95893000 0.20612800 1.0 P P26 1 0.96574700 0.70646800 0.54064200 1.0 P P27 1 0.96574700 0.29353200 0.45935800 1.0 P P28 1 0.53843400 0.45939000 0.70653500 1.0 P P29 1 0.53843400 0.54061000 0.29346500 1.0 P P30 1 0.03755400 0.79324800 0.95941800 1.0 P P31 1 0.03755400 0.20675200 0.04058200 1.0 H H32 1 0.96579100 0.00000000 0.50000000 1.0