# generated using pymatgen data_MnF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.48549500 _cell_length_b 12.48549500 _cell_length_c 3.90742200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnF3 _chemical_formula_sum 'Mn10 F30' _cell_volume 609.11858070 _cell_formula_units_Z 10 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 0.50000000 0.00000000 0.50000000 1.0 Mn Mn1 1 0.20764300 0.07784100 0.50000000 1.0 Mn Mn2 1 0.92215900 0.20764300 0.50000000 1.0 Mn Mn3 1 0.42215900 0.29235700 0.50000000 1.0 Mn Mn4 1 0.70764300 0.42215900 0.50000000 1.0 Mn Mn5 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn6 1 0.29235700 0.57784100 0.50000000 1.0 Mn Mn7 1 0.57784100 0.70764300 0.50000000 1.0 Mn Mn8 1 0.07784100 0.79235700 0.50000000 1.0 Mn Mn9 1 0.79235700 0.92215900 0.50000000 1.0 F F10 1 0.50000000 0.00000000 0.00000000 1.0 F F11 1 0.65358300 0.99809300 0.50000000 1.0 F F12 1 0.85589500 0.06121800 0.50000000 1.0 F F13 1 0.20827200 0.07900200 0.00000000 1.0 F F14 1 0.06121800 0.14410500 0.50000000 1.0 F F15 1 0.49809300 0.15358300 0.50000000 1.0 F F16 1 0.92099800 0.20827200 0.00000000 1.0 F F17 1 0.28367000 0.21633000 0.50000000 1.0 F F18 1 0.78367000 0.28367000 0.50000000 1.0 F F19 1 0.42099800 0.29172800 0.00000000 1.0 F F20 1 0.99809300 0.34641700 0.50000000 1.0 F F21 1 0.56121800 0.35589500 0.50000000 1.0 F F22 1 0.70827200 0.42099800 0.00000000 1.0 F F23 1 0.35589500 0.43878200 0.50000000 1.0 F F24 1 0.15358300 0.50190700 0.50000000 1.0 F F25 1 0.00000000 0.50000000 0.00000000 1.0 F F26 1 0.84641700 0.49809300 0.50000000 1.0 F F27 1 0.64410500 0.56121800 0.50000000 1.0 F F28 1 0.29172800 0.57900200 0.00000000 1.0 F F29 1 0.43878200 0.64410500 0.50000000 1.0 F F30 1 0.00190700 0.65358300 0.50000000 1.0 F F31 1 0.57900200 0.70827200 0.00000000 1.0 F F32 1 0.21633000 0.71633000 0.50000000 1.0 F F33 1 0.71633000 0.78367000 0.50000000 1.0 F F34 1 0.07900200 0.79172800 0.00000000 1.0 F F35 1 0.50190700 0.84641700 0.50000000 1.0 F F36 1 0.93878200 0.85589500 0.50000000 1.0 F F37 1 0.79172800 0.92099800 0.00000000 1.0 F F38 1 0.14410500 0.93878200 0.50000000 1.0 F F39 1 0.34641700 0.00190700 0.50000000 1.0