# generated using pymatgen
data_TmThZr3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36782903
_cell_length_b   7.16286901
_cell_length_c   7.35017030
_cell_angle_alpha   71.65084709
_cell_angle_beta   89.86250732
_cell_angle_gamma   90.42896176
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmThZr3Si4
_chemical_formula_sum   'Tm2 Th2 Zr6 Si8'
_cell_volume   368.16611332
_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
  Tm  Tm0  1  0.67413435  0.92828616  0.69448909  1.0
  Tm  Tm1  1  0.32586565  0.07171384  0.30551091  1.0
  Th  Th2  1  0.17198063  0.57292880  0.31103820  1.0
  Th  Th3  1  0.82801937  0.42707120  0.68896180  1.0
  Zr  Zr4  1  0.67597738  0.74850079  0.25047468  1.0
  Zr  Zr5  1  0.32402262  0.25149921  0.74952532  1.0
  Zr  Zr6  1  0.18028125  0.75059332  0.75401753  1.0
  Zr  Zr7  1  0.81971875  0.24940668  0.24598247  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  0.96588951  0.87643029  0.41792999  1.0
  Si  Si11  1  0.03411049  0.12356971  0.58207001  1.0
  Si  Si12  1  0.46850021  0.63652917  0.58472451  1.0
  Si  Si13  1  0.53149979  0.36347083  0.41527549  1.0
  Si  Si14  1  0.87441121  0.63060545  0.99276739  1.0
  Si  Si15  1  0.12558879  0.36939455  0.00723261  1.0
  Si  Si16  1  0.37947712  0.87592930  0.00592575  1.0
  Si  Si17  1  0.62052288  0.12407070  0.99407425  1.0