# generated using pymatgen data_CaMg6Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16257400 _cell_length_b 6.51898600 _cell_length_c 11.20039600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg6Mn _chemical_formula_sum 'Ca2 Mg12 Mn2' _cell_volume 376.94650074 _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 Ca Ca0 1 0.00000000 0.50000000 0.33421200 1.0 Ca Ca1 1 0.00000000 0.00000000 0.83421200 1.0 Mg Mg2 1 0.00000000 0.74703800 0.08217800 1.0 Mg Mg3 1 0.00000000 0.25296200 0.08217800 1.0 Mg Mg4 1 0.50000000 0.73657100 0.91571800 1.0 Mg Mg5 1 0.50000000 0.26342900 0.91571800 1.0 Mg Mg6 1 0.50000000 0.50000000 0.16260900 1.0 Mg Mg7 1 0.50000000 0.50000000 0.67121300 1.0 Mg Mg8 1 0.00000000 0.24703800 0.58217800 1.0 Mg Mg9 1 0.00000000 0.75296200 0.58217800 1.0 Mg Mg10 1 0.50000000 0.23657100 0.41571800 1.0 Mg Mg11 1 0.50000000 0.76342900 0.41571800 1.0 Mg Mg12 1 0.50000000 0.00000000 0.66260900 1.0 Mg Mg13 1 0.50000000 0.00000000 0.17121300 1.0 Mn Mn14 1 0.00000000 0.50000000 0.83617700 1.0 Mn Mn15 1 0.00000000 0.00000000 0.33617700 1.0