# generated using pymatgen data_Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88690821 _cell_length_b 7.88690821 _cell_length_c 7.88690821 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn _chemical_formula_sum Mn29 _cell_volume 377.65780884 _cell_formula_units_Z 29 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 0.64454385 0.64454385 0.64454385 1.0 Mn Mn2 1 0.00000000 -0.00000000 0.35545615 1.0 Mn Mn3 1 0.35545615 -0.00000000 -0.00000000 1.0 Mn Mn4 1 0.00000000 0.35545615 -0.00000000 1.0 Mn Mn5 1 0.40254236 0.71904778 0.40254236 1.0 Mn Mn6 1 0.31650543 0.00000000 0.59745764 1.0 Mn Mn7 1 0.59745764 -0.00000000 0.31650543 1.0 Mn Mn8 1 0.31650543 0.59745764 0.00000000 1.0 Mn Mn9 1 0.68349457 0.68349457 0.28095222 1.0 Mn Mn10 1 0.28095222 0.68349457 0.68349457 1.0 Mn Mn11 1 -0.00000000 0.59745764 0.31650543 1.0 Mn Mn12 1 -0.00000000 0.31650543 0.59745764 1.0 Mn Mn13 1 0.59745764 0.31650543 -0.00000000 1.0 Mn Mn14 1 0.40254236 0.40254236 0.71904778 1.0 Mn Mn15 1 0.71904778 0.40254236 0.40254236 1.0 Mn Mn16 1 0.68349457 0.28095222 0.68349457 1.0 Mn Mn17 1 0.37762628 0.18636344 0.37762628 1.0 Mn Mn18 1 0.80873716 0.00000000 0.62237372 1.0 Mn Mn19 1 0.62237372 -0.00000000 0.80873716 1.0 Mn Mn20 1 0.80873716 0.62237372 -0.00000000 1.0 Mn Mn21 1 0.19126284 0.19126284 0.81363656 1.0 Mn Mn22 1 0.81363656 0.19126284 0.19126284 1.0 Mn Mn23 1 0.00000000 0.62237372 0.80873716 1.0 Mn Mn24 1 -0.00000000 0.80873716 0.62237372 1.0 Mn Mn25 1 0.62237372 0.80873716 0.00000000 1.0 Mn Mn26 1 0.37762628 0.37762628 0.18636344 1.0 Mn Mn27 1 0.18636344 0.37762628 0.37762628 1.0 Mn Mn28 1 0.19126284 0.81363656 0.19126284 1.0