# generated using pymatgen data_Tm5Zr3(Ni4As3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.72133004 _cell_length_b 12.72133004 _cell_length_c 3.88591300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000023 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Zr3(Ni4As3)4 _chemical_formula_sum 'Tm5 Zr3 Ni16 As12' _cell_volume 544.61392838 _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 Tm Tm0 1 0.00000000 0.18133100 0.50000000 1.0 Tm Tm1 1 0.81866900 0.81866900 0.50000000 1.0 Tm Tm2 1 0.18133100 0.00000000 0.50000000 1.0 Tm Tm3 1 0.66666700 0.33333300 0.00000000 1.0 Tm Tm4 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr5 1 0.00000000 0.56190400 0.00000000 1.0 Zr Zr6 1 0.43809600 0.43809600 0.00000000 1.0 Zr Zr7 1 0.56190400 0.00000000 0.00000000 1.0 Ni Ni8 1 0.00000000 0.72373200 0.50000000 1.0 Ni Ni9 1 0.27626800 0.27626800 0.50000000 1.0 Ni Ni10 1 0.72373200 0.00000000 0.50000000 1.0 Ni Ni11 1 0.80820000 0.18217100 0.00000000 1.0 Ni Ni12 1 0.81782900 0.62602900 0.00000000 1.0 Ni Ni13 1 0.37397100 0.19180000 0.00000000 1.0 Ni Ni14 1 0.18217100 0.80820000 0.00000000 1.0 Ni Ni15 1 0.62602900 0.81782900 0.00000000 1.0 Ni Ni16 1 0.19180000 0.37397100 0.00000000 1.0 Ni Ni17 1 0.87868800 0.36015000 0.50000000 1.0 Ni Ni18 1 0.63985000 0.51853700 0.50000000 1.0 Ni Ni19 1 0.48146300 0.12131200 0.50000000 1.0 Ni Ni20 1 0.36015000 0.87868800 0.50000000 1.0 Ni Ni21 1 0.51853700 0.63985000 0.50000000 1.0 Ni Ni22 1 0.12131200 0.48146300 0.50000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.00000000 1.0 As As24 1 0.00000000 0.82280100 0.00000000 1.0 As As25 1 0.17719900 0.17719900 0.00000000 1.0 As As26 1 0.82280100 0.00000000 0.00000000 1.0 As As27 1 0.69199900 0.17297500 0.50000000 1.0 As As28 1 0.82702500 0.51902400 0.50000000 1.0 As As29 1 0.48097600 0.30800100 0.50000000 1.0 As As30 1 0.17297500 0.69199900 0.50000000 1.0 As As31 1 0.51902400 0.82702500 0.50000000 1.0 As As32 1 0.30800100 0.48097600 0.50000000 1.0 As As33 1 0.00000000 0.35365300 0.00000000 1.0 As As34 1 0.64634700 0.64634700 0.00000000 1.0 As As35 1 0.35365300 0.00000000 0.00000000 1.0