# generated using pymatgen data_Ca12Sn4N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88976451 _cell_length_b 4.88976451 _cell_length_c 20.00545861 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca12Sn4N3 _chemical_formula_sum 'Ca12 Sn4 N3' _cell_volume 478.32645273 _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 0.86226326 1.0 Ca Ca1 1 0.50000000 0.50000000 0.13773674 1.0 Ca Ca2 1 0.50000000 0.50000000 0.37816115 1.0 Ca Ca3 1 0.50000000 0.50000000 0.62183885 1.0 Ca Ca4 1 0.50000000 0.00000000 0.00000000 1.0 Ca Ca5 1 0.50000000 0.00000000 0.25493377 1.0 Ca Ca6 1 0.50000000 0.00000000 0.50000000 1.0 Ca Ca7 1 0.50000000 0.00000000 0.74506623 1.0 Ca Ca8 1 0.00000000 0.50000000 0.00000000 1.0 Ca Ca9 1 0.00000000 0.50000000 0.25493377 1.0 Ca Ca10 1 0.00000000 0.50000000 0.50000000 1.0 Ca Ca11 1 0.00000000 0.50000000 0.74506623 1.0 Sn Sn12 1 0.00000000 0.00000000 0.88227365 1.0 Sn Sn13 1 0.00000000 0.00000000 0.11772635 1.0 Sn Sn14 1 0.00000000 0.00000000 0.37567549 1.0 Sn Sn15 1 0.00000000 0.00000000 0.62432451 1.0 N N16 1 0.50000000 0.50000000 0.25130330 1.0 N N17 1 0.50000000 0.50000000 0.50000000 1.0 N N18 1 0.50000000 0.50000000 0.74869670 1.0