# generated using pymatgen data_CaLaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36433800 _cell_length_b 6.91913700 _cell_length_c 11.80570400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaMg6 _chemical_formula_sum 'Ca2 La2 Mg12' _cell_volume 438.18746956 _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 0.65765500 1.0 Ca Ca1 1 0.00000000 0.00000000 0.15765500 1.0 La La2 1 0.50000000 0.50000000 0.84190500 1.0 La La3 1 0.50000000 0.00000000 0.34190500 1.0 Mg Mg4 1 0.00000000 0.24644600 0.91630900 1.0 Mg Mg5 1 0.00000000 0.75355400 0.91630900 1.0 Mg Mg6 1 0.00000000 0.50000000 0.16556200 1.0 Mg Mg7 1 0.50000000 0.25040700 0.08301600 1.0 Mg Mg8 1 0.50000000 0.74959300 0.08301600 1.0 Mg Mg9 1 0.50000000 0.50000000 0.33622700 1.0 Mg Mg10 1 0.00000000 0.74644600 0.41630900 1.0 Mg Mg11 1 0.00000000 0.25355400 0.41630900 1.0 Mg Mg12 1 0.00000000 0.00000000 0.66556200 1.0 Mg Mg13 1 0.50000000 0.75040700 0.58301600 1.0 Mg Mg14 1 0.50000000 0.24959300 0.58301600 1.0 Mg Mg15 1 0.50000000 0.00000000 0.83622700 1.0