# generated using pymatgen
data_Th2Zr3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43602215
_cell_length_b   7.26265011
_cell_length_c   7.44122724
_cell_angle_alpha   71.25127784
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Zr3Si4
_chemical_formula_sum   'Th4 Zr6 Si8'
_cell_volume   380.54111517
_cell_formula_units_Z   2
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  0.67153685  0.93031739  0.69157818  1.0
  Th  Th1  1  0.32846315  0.06968261  0.30842182  1.0
  Th  Th2  1  0.17153685  0.56968261  0.30842182  1.0
  Th  Th3  1  0.82846315  0.43031739  0.69157818  1.0
  Zr  Zr4  1  0.67437002  0.74838780  0.24769529  1.0
  Zr  Zr5  1  0.32562998  0.25161220  0.75230471  1.0
  Zr  Zr6  1  0.17437002  0.75161220  0.75230471  1.0
  Zr  Zr7  1  0.82562998  0.24838780  0.24769529  1.0
  Zr  Zr8  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr9  1  0.50000000  0.50000000  0.00000000  1.0
  Si  Si10  1  0.96348486  0.86973226  0.41515055  1.0
  Si  Si11  1  0.03651514  0.13026774  0.58484945  1.0
  Si  Si12  1  0.46348486  0.63026774  0.58484945  1.0
  Si  Si13  1  0.53651514  0.36973226  0.41515055  1.0
  Si  Si14  1  0.87584268  0.62704387  0.99654609  1.0
  Si  Si15  1  0.12415732  0.37295613  0.00345391  1.0
  Si  Si16  1  0.37584268  0.87295613  0.00345391  1.0
  Si  Si17  1  0.62415732  0.12704387  0.99654609  1.0