# generated using pymatgen
data_Th2Zr(ScSn2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88845593
_cell_length_b   7.94665510
_cell_length_c   14.96458369
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Zr(ScSn2)2
_chemical_formula_sum   'Th8 Zr4 Sc8 Sn16'
_cell_volume   938.08244253
_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
  Th  Th0  1  0.51205943  0.32197529  0.90480205  1.0
  Th  Th1  1  0.01205943  0.17802471  0.59519795  1.0
  Th  Th2  1  0.48794057  0.67802471  0.40480205  1.0
  Th  Th3  1  0.98794057  0.82197529  0.09519795  1.0
  Th  Th4  1  0.48794057  0.67802471  0.09519795  1.0
  Th  Th5  1  0.98794057  0.82197529  0.40480205  1.0
  Th  Th6  1  0.51205943  0.32197529  0.59519795  1.0
  Th  Th7  1  0.01205943  0.17802471  0.90480205  1.0
  Zr  Zr8  1  0.16935755  0.49724441  0.75000000  1.0
  Zr  Zr9  1  0.66935755  0.00275559  0.75000000  1.0
  Zr  Zr10  1  0.83064245  0.50275559  0.25000000  1.0
  Zr  Zr11  1  0.33064245  0.99724441  0.25000000  1.0
  Sc  Sc12  1  0.34477124  0.84157747  0.87256655  1.0
  Sc  Sc13  1  0.84477124  0.65842253  0.62743345  1.0
  Sc  Sc14  1  0.65522876  0.15842253  0.37256655  1.0
  Sc  Sc15  1  0.15522876  0.34157747  0.12743345  1.0
  Sc  Sc16  1  0.65522876  0.15842253  0.12743345  1.0
  Sc  Sc17  1  0.15522876  0.34157747  0.37256655  1.0
  Sc  Sc18  1  0.34477124  0.84157747  0.62743345  1.0
  Sc  Sc19  1  0.84477124  0.65842253  0.87256655  1.0
  Sn  Sn20  1  0.31378369  0.04661400  0.04475500  1.0
  Sn  Sn21  1  0.81378369  0.45338600  0.45524500  1.0
  Sn  Sn22  1  0.68621631  0.95338600  0.54475500  1.0
  Sn  Sn23  1  0.18621631  0.54661400  0.95524500  1.0
  Sn  Sn24  1  0.68621631  0.95338600  0.95524500  1.0
  Sn  Sn25  1  0.18621631  0.54661400  0.54475500  1.0
  Sn  Sn26  1  0.31378369  0.04661400  0.45524500  1.0
  Sn  Sn27  1  0.81378369  0.45338600  0.04475500  1.0
  Sn  Sn28  1  0.53845590  0.62940149  0.75000000  1.0
  Sn  Sn29  1  0.03845590  0.87059851  0.75000000  1.0
  Sn  Sn30  1  0.46154410  0.37059851  0.25000000  1.0
  Sn  Sn31  1  0.96154410  0.12940149  0.25000000  1.0
  Sn  Sn32  1  0.31155366  0.14299230  0.75000000  1.0
  Sn  Sn33  1  0.81155366  0.35700770  0.75000000  1.0
  Sn  Sn34  1  0.68844634  0.85700770  0.25000000  1.0
  Sn  Sn35  1  0.18844634  0.64299230  0.25000000  1.0