# generated using pymatgen data_Mn3ReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34687061 _cell_length_b 5.45652883 _cell_length_c 7.86214660 _cell_angle_alpha 90.00167287 _cell_angle_beta 90.00894289 _cell_angle_gamma 90.06329147 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3ReO6 _chemical_formula_sum 'Mn6 Re2 O12' _cell_volume 229.38076462 _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 Mn Mn0 1 0.50144300 0.00147000 0.50341200 1.0 Mn Mn1 1 0.99840900 0.50148900 0.99658300 1.0 Mn Mn2 1 0.00200800 0.95635900 0.75686000 1.0 Mn Mn3 1 0.49803300 0.45633900 0.74318300 1.0 Mn Mn4 1 0.49426400 0.54895600 0.25813800 1.0 Mn Mn5 1 0.00573900 0.04924800 0.24171700 1.0 Re Re6 1 0.99736400 0.50075700 0.49857600 1.0 Re Re7 1 0.50267600 0.00091300 0.00153300 1.0 O O8 1 0.15732100 0.79749800 0.42453700 1.0 O O9 1 0.65603400 0.69980200 0.92398900 1.0 O O10 1 0.84390600 0.19970300 0.57598600 1.0 O O11 1 0.34275800 0.29747100 0.07549700 1.0 O O12 1 0.30365500 0.32470400 0.44225100 1.0 O O13 1 0.81650000 0.16460600 0.94846200 1.0 O O14 1 0.68350600 0.66447800 0.55161900 1.0 O O15 1 0.19634700 0.82474300 0.05768900 1.0 O O16 1 0.62291500 0.92844600 0.23341400 1.0 O O17 1 0.11931900 0.57724300 0.73172100 1.0 O O18 1 0.38068700 0.07732200 0.76823200 1.0 O O19 1 0.87711500 0.42845100 0.26660100 1.0