# generated using pymatgen data_Tb3Ni7P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81640100 _cell_length_b 16.32704500 _cell_length_c 16.32995893 _cell_angle_alpha 60.05626822 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Ni7P5 _chemical_formula_sum 'Tb12 Ni28 P20' _cell_volume 881.70494984 _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 Tb Tb0 1 0.00000000 0.12078300 0.64445200 1.0 Tb Tb1 1 0.00000000 0.64427700 0.23474700 1.0 Tb Tb2 1 0.00000000 0.23631800 0.12159500 1.0 Tb Tb3 1 0.50000000 0.87834100 0.35742500 1.0 Tb Tb4 1 0.50000000 0.35652400 0.76471600 1.0 Tb Tb5 1 0.50000000 0.76485900 0.87915700 1.0 Tb Tb6 1 0.00000000 0.38410700 0.43991600 1.0 Tb Tb7 1 0.00000000 0.44006900 0.17574000 1.0 Tb Tb8 1 0.00000000 0.17562500 0.38408200 1.0 Tb Tb9 1 0.50000000 0.61629800 0.55945100 1.0 Tb Tb10 1 0.50000000 0.55951600 0.82447900 1.0 Tb Tb11 1 0.50000000 0.82433900 0.61614000 1.0 Ni Ni12 1 0.00000000 0.98629900 0.56678700 1.0 Ni Ni13 1 0.00000000 0.56679900 0.44679400 1.0 Ni Ni14 1 0.00000000 0.44653300 0.98620900 1.0 Ni Ni15 1 0.50000000 0.01419800 0.43243000 1.0 Ni Ni16 1 0.50000000 0.43224600 0.55367900 1.0 Ni Ni17 1 0.50000000 0.55368400 0.01452300 1.0 Ni Ni18 1 0.00000000 0.93195500 0.82246000 1.0 Ni Ni19 1 0.00000000 0.82194600 0.24545700 1.0 Ni Ni20 1 0.00000000 0.25142200 0.92655200 1.0 Ni Ni21 1 0.50000000 0.07357200 0.17774500 1.0 Ni Ni22 1 0.50000000 0.17771500 0.74959700 1.0 Ni Ni23 1 0.50000000 0.74931100 0.07331900 1.0 Ni Ni24 1 0.00000000 0.71508000 0.77308500 1.0 Ni Ni25 1 0.00000000 0.77309700 0.51168600 1.0 Ni Ni26 1 0.00000000 0.51205100 0.71487100 1.0 Ni Ni27 1 0.50000000 0.28528300 0.22669600 1.0 Ni Ni28 1 0.50000000 0.22678600 0.48833300 1.0 Ni Ni29 1 0.50000000 0.48822900 0.28488100 1.0 Ni Ni30 1 0.00000000 0.30262100 0.65496100 1.0 Ni Ni31 1 0.00000000 0.65563400 0.04229600 1.0 Ni Ni32 1 0.00000000 0.04174600 0.30310300 1.0 Ni Ni33 1 0.50000000 0.69692100 0.34598700 1.0 Ni Ni34 1 0.50000000 0.34498700 0.95800800 1.0 Ni Ni35 1 0.50000000 0.95722500 0.69681300 1.0 Ni Ni36 1 0.00000000 0.08706800 0.05930800 1.0 Ni Ni37 1 0.50000000 0.94061200 0.14795900 1.0 Ni Ni38 1 0.50000000 0.14787700 0.91190500 1.0 Ni Ni39 1 0.50000000 0.90910300 0.93878100 1.0 P P40 1 0.00000000 0.66676100 0.66661600 1.0 P P41 1 0.50000000 0.33325200 0.33334200 1.0 P P42 1 0.00000000 0.60950700 0.92637800 1.0 P P43 1 0.00000000 0.92633800 0.46406400 1.0 P P44 1 0.00000000 0.46425200 0.60944200 1.0 P P45 1 0.50000000 0.39080400 0.07328600 1.0 P P46 1 0.50000000 0.07323100 0.53642500 1.0 P P47 1 0.50000000 0.53642900 0.39032300 1.0 P P48 1 0.00000000 0.81869100 0.98017200 1.0 P P49 1 0.00000000 0.97562900 0.20628200 1.0 P P50 1 0.00000000 0.20139200 0.81725700 1.0 P P51 1 0.50000000 0.18327000 0.02314600 1.0 P P52 1 0.50000000 0.02313600 0.79331700 1.0 P P53 1 0.50000000 0.79320800 0.18382800 1.0 P P54 1 0.00000000 0.86901100 0.72286600 1.0 P P55 1 0.00000000 0.72292300 0.40808900 1.0 P P56 1 0.00000000 0.40876300 0.86867700 1.0 P P57 1 0.50000000 0.13154100 0.27724500 1.0 P P58 1 0.50000000 0.27696300 0.59190700 1.0 P P59 1 0.50000000 0.59183900 0.13121300 1.0