# generated using pymatgen data_Ta3Zn3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.18744565 _cell_length_b 8.18744593 _cell_length_c 8.18744518 _cell_angle_alpha 59.99999908 _cell_angle_beta 59.99999797 _cell_angle_gamma 59.99999976 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Zn3N _chemical_formula_sum 'Ta12 Zn12 N4' _cell_volume 388.08805166 _cell_formula_units_Z 4 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 Ta Ta0 1 0.81748786 0.81748786 0.18251214 1.0 Ta Ta1 1 0.18251214 0.18251214 0.81748786 1.0 Ta Ta2 1 0.81748786 0.18251214 0.81748786 1.0 Ta Ta3 1 0.18251214 0.81748786 0.18251214 1.0 Ta Ta4 1 0.18251214 0.81748786 0.81748786 1.0 Ta Ta5 1 0.81748786 0.18251214 0.18251214 1.0 Ta Ta6 1 0.43251214 0.43251214 0.06748786 1.0 Ta Ta7 1 0.06748786 0.06748786 0.43251214 1.0 Ta Ta8 1 0.43251214 0.06748786 0.43251214 1.0 Ta Ta9 1 0.06748786 0.43251214 0.06748786 1.0 Ta Ta10 1 0.06748786 0.43251214 0.43251214 1.0 Ta Ta11 1 0.43251214 0.06748786 0.06748786 1.0 Zn Zn12 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn13 1 0.62500000 0.12500000 0.62500000 1.0 Zn Zn14 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn15 1 0.62500000 0.62500000 0.62500000 1.0 Zn Zn16 1 0.74714917 0.41761761 0.41761761 1.0 Zn Zn17 1 0.41761761 0.74714917 0.41761761 1.0 Zn Zn18 1 0.41761761 0.41761761 0.74714917 1.0 Zn Zn19 1 0.41761761 0.41761761 0.41761761 1.0 Zn Zn20 1 0.50285083 0.83238239 0.83238239 1.0 Zn Zn21 1 0.83238239 0.50285083 0.83238239 1.0 Zn Zn22 1 0.83238239 0.83238239 0.50285083 1.0 Zn Zn23 1 0.83238239 0.83238239 0.83238239 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0