# generated using pymatgen data_Tm3Zr(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75134184 _cell_length_b 10.66445446 _cell_length_c 12.30242583 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Zr(Ni4P3)2 _chemical_formula_sum 'Tm6 Zr2 Ni16 P12' _cell_volume 492.17102322 _cell_formula_units_Z 2 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 Tm Tm0 1 0.00000000 0.50000000 0.52916677 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47083323 1.0 Tm Tm2 1 0.50000000 0.82207510 0.20578037 1.0 Tm Tm3 1 0.50000000 0.17792490 0.20578037 1.0 Tm Tm4 1 0.00000000 0.67792490 0.79421963 1.0 Tm Tm5 1 0.00000000 0.32207510 0.79421963 1.0 Zr Zr6 1 0.50000000 0.50000000 0.15568874 1.0 Zr Zr7 1 0.00000000 0.00000000 0.84431126 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70103545 1.0 Ni Ni9 1 0.00000000 0.00000000 0.29896455 1.0 Ni Ni10 1 0.00000000 0.50000000 0.98270955 1.0 Ni Ni11 1 0.50000000 0.00000000 0.01729045 1.0 Ni Ni12 1 0.50000000 0.33512871 0.98783732 1.0 Ni Ni13 1 0.50000000 0.66487129 0.98783732 1.0 Ni Ni14 1 0.00000000 0.16487129 0.01216268 1.0 Ni Ni15 1 0.00000000 0.83512871 0.01216268 1.0 Ni Ni16 1 0.50000000 0.30030846 0.43059733 1.0 Ni Ni17 1 0.50000000 0.69969154 0.43059733 1.0 Ni Ni18 1 0.00000000 0.19969154 0.56940267 1.0 Ni Ni19 1 0.00000000 0.80030846 0.56940267 1.0 Ni Ni20 1 0.50000000 0.87628468 0.70481828 1.0 Ni Ni21 1 0.50000000 0.12371532 0.70481828 1.0 Ni Ni22 1 0.00000000 0.62371532 0.29518172 1.0 Ni Ni23 1 0.00000000 0.37628468 0.29518172 1.0 P P24 1 0.50000000 0.50000000 0.87829828 1.0 P P25 1 0.00000000 0.00000000 0.12170172 1.0 P P26 1 0.50000000 0.50000000 0.36281364 1.0 P P27 1 0.00000000 0.00000000 0.63718636 1.0 P P28 1 0.50000000 0.31452022 0.61528608 1.0 P P29 1 0.50000000 0.68547978 0.61528608 1.0 P P30 1 0.00000000 0.18547978 0.38471392 1.0 P P31 1 0.00000000 0.81452022 0.38471392 1.0 P P32 1 0.50000000 0.83740419 0.89340771 1.0 P P33 1 0.50000000 0.16259581 0.89340771 1.0 P P34 1 0.00000000 0.66259581 0.10659229 1.0 P P35 1 0.00000000 0.33740419 0.10659229 1.0