# generated using pymatgen data_CaMn28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58823410 _cell_length_b 7.58823410 _cell_length_c 7.58823410 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMn28 _chemical_formula_sum 'Ca1 Mn28' _cell_volume 336.35684555 _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 Ca Ca0 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn1 1 0.62686800 0.00000000 0.00000000 1.0 Mn Mn2 1 0.00000000 0.62686800 0.00000000 1.0 Mn Mn3 1 0.00000000 0.00000000 0.62686800 1.0 Mn Mn4 1 0.37313200 0.37313200 0.37313200 1.0 Mn Mn5 1 0.39024600 0.67822600 0.00000000 1.0 Mn Mn6 1 0.71202000 0.32177400 0.32177400 1.0 Mn Mn7 1 0.39024600 0.00000000 0.67822600 1.0 Mn Mn8 1 0.67822600 0.39024600 0.00000000 1.0 Mn Mn9 1 0.00000000 0.39024600 0.67822600 1.0 Mn Mn10 1 0.32177400 0.71202000 0.32177400 1.0 Mn Mn11 1 0.32177400 0.32177400 0.71202000 1.0 Mn Mn12 1 0.00000000 0.67822600 0.39024600 1.0 Mn Mn13 1 0.67822600 0.00000000 0.39024600 1.0 Mn Mn14 1 0.60975400 0.60975400 0.28798000 1.0 Mn Mn15 1 0.28798000 0.60975400 0.60975400 1.0 Mn Mn16 1 0.60975400 0.28798000 0.60975400 1.0 Mn Mn17 1 0.38140600 0.20126600 0.00000000 1.0 Mn Mn18 1 0.18014000 0.79873400 0.79873400 1.0 Mn Mn19 1 0.38140600 0.00000000 0.20126600 1.0 Mn Mn20 1 0.20126600 0.38140600 0.00000000 1.0 Mn Mn21 1 0.00000000 0.38140600 0.20126600 1.0 Mn Mn22 1 0.79873400 0.18014000 0.79873400 1.0 Mn Mn23 1 0.79873400 0.79873400 0.18014000 1.0 Mn Mn24 1 0.00000000 0.20126600 0.38140600 1.0 Mn Mn25 1 0.20126600 0.00000000 0.38140600 1.0 Mn Mn26 1 0.61859400 0.61859400 0.81986000 1.0 Mn Mn27 1 0.81986000 0.61859400 0.61859400 1.0 Mn Mn28 1 0.61859400 0.81986000 0.61859400 1.0