# generated using pymatgen data_Zr3Tc3AsP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80971716 _cell_length_b 6.80971650 _cell_length_c 3.54457004 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000321 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Tc3AsP2 _chemical_formula_sum 'Zr3 Tc3 As1 P2' _cell_volume 142.34830042 _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 Zr Zr0 1 0.39832163 0.40967744 0.50000000 1.0 Zr Zr1 1 0.59032256 0.98864418 0.50000000 1.0 Zr Zr2 1 0.01135582 0.60167837 0.50000000 1.0 Tc Tc3 1 0.00607508 0.24514085 0.00000000 1.0 Tc Tc4 1 0.23906478 0.99392492 0.00000000 1.0 Tc Tc5 1 0.75485915 0.76093522 0.00000000 1.0 As As6 1 0.66666700 0.33333300 0.00000000 1.0 P P7 1 0.33333300 0.66666700 0.00000000 1.0 P P8 1 0.00000000 0.00000000 0.50000000 1.0