# generated using pymatgen data_Mn3MoF12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53642817 _cell_length_b 5.15097573 _cell_length_c 5.49878951 _cell_angle_alpha 90.67360757 _cell_angle_beta 94.48198535 _cell_angle_gamma 89.37605133 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3MoF12 _chemical_formula_sum 'Mn3 Mo1 F12' _cell_volume 212.78465019 _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 Mn Mn0 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn1 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn2 1 0.50000000 0.50000000 0.50000000 1.0 Mo Mo3 1 0.00000000 0.50000000 0.50000000 1.0 F F4 1 0.24679781 0.09675145 0.99385357 1.0 F F5 1 0.55746797 0.21876915 0.29883811 1.0 F F6 1 0.93694073 0.32662975 0.17869220 1.0 F F7 1 0.06732953 0.80739925 0.33192176 1.0 F F8 1 0.44913020 0.70093560 0.22145938 1.0 F F9 1 0.76474464 0.64318927 0.51053174 1.0 F F10 1 0.23525536 0.35681073 0.48946826 1.0 F F11 1 0.55086980 0.29906440 0.77854062 1.0 F F12 1 0.93267047 0.19260075 0.66807824 1.0 F F13 1 0.06305927 0.67337025 0.82130780 1.0 F F14 1 0.44253203 0.78123085 0.70116189 1.0 F F15 1 0.75320219 0.90324855 0.00614643 1.0