# generated using pymatgen data_Ca11SmSn4N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88184750 _cell_length_b 4.92782759 _cell_length_c 19.84019008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11SmSn4N3 _chemical_formula_sum 'Ca11 Sm1 Sn4 N3' _cell_volume 477.29352506 _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 0.50000000 0.50000000 0.86276778 1.0 Ca Ca1 1 0.50000000 0.50000000 0.13723222 1.0 Ca Ca2 1 0.50000000 0.50000000 0.37486616 1.0 Ca Ca3 1 0.50000000 0.50000000 0.62513384 1.0 Ca Ca4 1 0.50000000 0.00000000 0.00000000 1.0 Ca Ca5 1 0.50000000 0.00000000 0.25450697 1.0 Ca Ca6 1 0.50000000 0.00000000 0.74549303 1.0 Ca Ca7 1 0.00000000 0.50000000 0.00000000 1.0 Ca Ca8 1 0.00000000 0.50000000 0.25472815 1.0 Ca Ca9 1 0.00000000 0.50000000 0.50000000 1.0 Ca Ca10 1 0.00000000 0.50000000 0.74527185 1.0 Sm Sm11 1 0.50000000 0.00000000 0.50000000 1.0 Sn Sn12 1 0.00000000 0.00000000 0.88150701 1.0 Sn Sn13 1 0.00000000 0.00000000 0.11849299 1.0 Sn Sn14 1 0.00000000 0.00000000 0.37964591 1.0 Sn Sn15 1 0.00000000 0.00000000 0.62035409 1.0 N N16 1 0.50000000 0.50000000 0.25193510 1.0 N N17 1 0.50000000 0.50000000 0.50000000 1.0 N N18 1 0.50000000 0.50000000 0.74806490 1.0