# generated using pymatgen data_BaZnSnF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.43599000 _cell_length_b 5.83246200 _cell_length_c 9.96938874 _cell_angle_alpha 87.26322569 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnSnF7 _chemical_formula_sum 'Ba4 Zn4 Sn4 F28' _cell_volume 606.11981105 _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 Ba Ba0 1 0.32396600 0.73195000 0.49535800 1.0 Ba Ba1 1 0.82396600 0.26805000 0.00464200 1.0 Ba Ba2 1 0.67603400 0.26805000 0.50464200 1.0 Ba Ba3 1 0.17603400 0.73195000 0.99535800 1.0 Zn Zn4 1 0.39176200 0.30256900 0.80673000 1.0 Zn Zn5 1 0.89176200 0.69743100 0.69327000 1.0 Zn Zn6 1 0.10823800 0.30256900 0.30673000 1.0 Zn Zn7 1 0.60823800 0.69743100 0.19327000 1.0 Sn Sn8 1 0.60088900 0.79923400 0.81757100 1.0 Sn Sn9 1 0.39911100 0.20076600 0.18242900 1.0 Sn Sn10 1 0.89911100 0.79923400 0.31757100 1.0 Sn Sn11 1 0.10088900 0.20076600 0.68242900 1.0 F F12 1 0.44598600 0.86054600 0.12115000 1.0 F F13 1 0.07361300 0.62446500 0.38269600 1.0 F F14 1 0.71682500 0.50994400 0.75603400 1.0 F F15 1 0.28317500 0.49005600 0.24396600 1.0 F F16 1 0.46062500 0.09405300 0.37749100 1.0 F F17 1 0.79670300 0.75465100 0.50966500 1.0 F F18 1 0.78200600 0.97654000 0.75504400 1.0 F F19 1 0.96062500 0.90594700 0.12250900 1.0 F F20 1 0.42638700 0.62446500 0.88269600 1.0 F F21 1 0.21682500 0.49005600 0.74396600 1.0 F F22 1 0.05401400 0.86054600 0.62115000 1.0 F F23 1 0.55401400 0.13945400 0.87885000 1.0 F F24 1 0.28200600 0.02346000 0.74495600 1.0 F F25 1 0.96379500 0.59116100 0.86850700 1.0 F F26 1 0.53937500 0.90594700 0.62250900 1.0 F F27 1 0.03937500 0.09405300 0.87749100 1.0 F F28 1 0.21799400 0.02346000 0.24495600 1.0 F F29 1 0.94598600 0.13945400 0.37885000 1.0 F F30 1 0.46379500 0.40883900 0.63149300 1.0 F F31 1 0.92638700 0.37553500 0.61730400 1.0 F F32 1 0.03620500 0.40883900 0.13149300 1.0 F F33 1 0.71799400 0.97654000 0.25504400 1.0 F F34 1 0.53620500 0.59116100 0.36850700 1.0 F F35 1 0.29670300 0.24534900 0.99033500 1.0 F F36 1 0.20329700 0.24534900 0.49033500 1.0 F F37 1 0.70329700 0.75465100 0.00966500 1.0 F F38 1 0.57361300 0.37553500 0.11730400 1.0 F F39 1 0.78317500 0.50994400 0.25603400 1.0