# generated using pymatgen data_Mn3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.23985001 _cell_length_b 9.23985001 _cell_length_c 9.23985042 _cell_angle_alpha 90.10214759 _cell_angle_beta 90.10214759 _cell_angle_gamma 90.10214665 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3In _chemical_formula_sum 'Mn39 In13' _cell_volume 788.84687608 _cell_formula_units_Z 13 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 0.84700800 0.84700800 0.84700800 1.0 Mn Mn1 1 0.83690800 0.16021200 0.16021200 1.0 Mn Mn2 1 0.16021200 0.16021200 0.83690800 1.0 Mn Mn3 1 0.16021200 0.83690800 0.16021200 1.0 Mn Mn4 1 0.59592400 0.59592400 0.59592400 1.0 Mn Mn5 1 0.58816700 0.40481200 0.40481200 1.0 Mn Mn6 1 0.40481200 0.40481200 0.58816700 1.0 Mn Mn7 1 0.40481200 0.58816700 0.40481200 1.0 Mn Mn8 1 0.49538300 0.85040600 0.49538300 1.0 Mn Mn9 1 0.49538300 0.49538300 0.85040600 1.0 Mn Mn10 1 0.85040600 0.49538300 0.49538300 1.0 Mn Mn11 1 0.49950300 0.15056100 0.49950300 1.0 Mn Mn12 1 0.49950300 0.49950300 0.15056100 1.0 Mn Mn13 1 0.15056100 0.49950300 0.49950300 1.0 Mn Mn14 1 0.02891800 0.32065700 0.32065700 1.0 Mn Mn15 1 0.32065700 0.02891800 0.32065700 1.0 Mn Mn16 1 0.32065700 0.32065700 0.02891800 1.0 Mn Mn17 1 0.06722100 0.71991100 0.71991100 1.0 Mn Mn18 1 0.28614700 0.93112000 0.70577200 1.0 Mn Mn19 1 0.28614700 0.70577200 0.93112000 1.0 Mn Mn20 1 0.93112000 0.70577200 0.28614700 1.0 Mn Mn21 1 0.70577200 0.93112000 0.28614700 1.0 Mn Mn22 1 0.71991100 0.71991100 0.06722100 1.0 Mn Mn23 1 0.93112000 0.28614700 0.70577200 1.0 Mn Mn24 1 0.71991100 0.06722100 0.71991100 1.0 Mn Mn25 1 0.70577200 0.28614700 0.93112000 1.0 Mn Mn26 1 0.33004000 0.33004000 0.33004000 1.0 Mn Mn27 1 0.34437100 0.65582500 0.65582500 1.0 Mn Mn28 1 0.65582500 0.65582500 0.34437100 1.0 Mn Mn29 1 0.65582500 0.34437100 0.65582500 1.0 Mn Mn30 1 0.99307100 0.34728300 0.99307100 1.0 Mn Mn31 1 0.99307100 0.99307100 0.34728300 1.0 Mn Mn32 1 0.34728300 0.99307100 0.99307100 1.0 Mn Mn33 1 0.99987200 0.66899700 0.99987200 1.0 Mn Mn34 1 0.99987200 0.99987200 0.66899700 1.0 Mn Mn35 1 0.66899700 0.99987200 0.99987200 1.0 Mn Mn36 1 0.10022700 0.90624600 0.90624600 1.0 Mn Mn37 1 0.90624600 0.90624600 0.10022700 1.0 Mn Mn38 1 0.90624600 0.10022700 0.90624600 1.0 In In39 1 0.54707100 0.81072400 0.81072400 1.0 In In40 1 0.81072400 0.54707100 0.81072400 1.0 In In41 1 0.81072400 0.81072400 0.54707100 1.0 In In42 1 0.54198100 0.18691300 0.18691300 1.0 In In43 1 0.79941200 0.45805400 0.17979900 1.0 In In44 1 0.79941200 0.17979900 0.45805400 1.0 In In45 1 0.45805400 0.17979900 0.79941200 1.0 In In46 1 0.17979900 0.45805400 0.79941200 1.0 In In47 1 0.18691300 0.18691300 0.54198100 1.0 In In48 1 0.45805400 0.79941200 0.17979900 1.0 In In49 1 0.18691300 0.54198100 0.18691300 1.0 In In50 1 0.17979900 0.79941200 0.45805400 1.0 In In51 1 0.12805200 0.12805200 0.12805200 1.0