# generated using pymatgen
data_Zr3Sc(AlTc3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21180185
_cell_length_b   5.21180314
_cell_length_c   8.62540861
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc(AlTc3)2
_chemical_formula_sum   'Zr3 Sc1 Al2 Tc6'
_cell_volume   202.90192323
_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  0.33333300  0.66666700  0.43116918  1.0
  Zr  Zr1  1  0.66666700  0.33333300  0.56657959  1.0
  Zr  Zr2  1  0.66666700  0.33333300  0.93524746  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.06525148  1.0
  Al  Al4  1  0.00000000  0.00000000  0.50033213  1.0
  Al  Al5  1  0.00000000  0.00000000  0.00090264  1.0
  Tc  Tc6  1  0.82892277  0.17107723  0.25050483  1.0
  Tc  Tc7  1  0.82892277  0.65784654  0.25050483  1.0
  Tc  Tc8  1  0.34215346  0.17107723  0.25050483  1.0
  Tc  Tc9  1  0.17118650  0.82881350  0.74966800  1.0
  Tc  Tc10  1  0.17118650  0.34237100  0.74966800  1.0
  Tc  Tc11  1  0.65762900  0.82881350  0.74966800  1.0