# generated using pymatgen data_CaMg14Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39401291 _cell_length_b 6.39401239 _cell_length_c 10.09661594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000274 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg14Fe _chemical_formula_sum 'Ca1 Mg14 Fe1' _cell_volume 357.48139067 _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 0.16666700 0.33333300 0.12500000 1.0 Mg Mg1 1 0.17678701 0.83839300 0.12500000 1.0 Mg Mg2 1 0.16006831 0.83003365 0.62500000 1.0 Mg Mg3 1 0.66160700 0.32321299 0.12500000 1.0 Mg Mg4 1 0.66996635 0.33993169 0.62500000 1.0 Mg Mg5 1 0.66160700 0.83839300 0.12500000 1.0 Mg Mg6 1 0.66996635 0.83003365 0.62500000 1.0 Mg Mg7 1 0.32837603 0.17162397 0.39564141 1.0 Mg Mg8 1 0.32837603 0.17162397 0.85435859 1.0 Mg Mg9 1 0.32837603 0.65675306 0.39564141 1.0 Mg Mg10 1 0.32837603 0.65675306 0.85435859 1.0 Mg Mg11 1 0.84324694 0.17162397 0.39564141 1.0 Mg Mg12 1 0.84324694 0.17162397 0.85435859 1.0 Mg Mg13 1 0.83333300 0.66666700 0.36589654 1.0 Mg Mg14 1 0.83333300 0.66666700 0.88410346 1.0 Fe Fe15 1 0.16666700 0.33333300 0.62500000 1.0