# generated using pymatgen
data_Zr2ScTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.98155196
_cell_length_b   11.98155196
_cell_length_c   11.98155196
_cell_angle_alpha   129.38398806
_cell_angle_beta   117.16913874
_cell_angle_gamma   84.77118973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ScTc
_chemical_formula_sum   'Zr2 Sc1 Tc1'
_cell_volume   1132.34950629
_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  0.00000000  0.28178000  0.28178000  1.0
  Zr  Zr1  1  0.00000000  0.71822000  0.71822000  1.0
  Sc  Sc2  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc3  1  0.00000000  0.50000000  0.50000000  1.0