# generated using pymatgen
data_Ba2SmThTe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82472451
_cell_length_b   8.82472451
_cell_length_c   10.70027413
_cell_angle_alpha   53.84021239
_cell_angle_beta   53.84021309
_cell_angle_gamma   42.10850720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SmThTe8
_chemical_formula_sum   'Ba2 Sm1 Th1 Te8'
_cell_volume   432.90300819
_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
  Ba  Ba0  1  0.90094946  0.90094946  0.30381630  1.0
  Ba  Ba1  1  0.10102752  0.10102752  0.69541792  1.0
  Sm  Sm2  1  0.63679845  0.63679845  0.22856113  1.0
  Th  Th3  1  0.36285861  0.36285861  0.77155785  1.0
  Te  Te4  1  0.10788911  0.60592426  0.04326418  1.0
  Te  Te5  1  0.39343020  0.89386900  0.95434596  1.0
  Te  Te6  1  0.89386900  0.39343020  0.95434596  1.0
  Te  Te7  1  0.60592426  0.10788911  0.04326418  1.0
  Te  Te8  1  0.09838371  0.09838371  0.35023269  1.0
  Te  Te9  1  0.90222746  0.90222746  0.65072148  1.0
  Te  Te10  1  0.61153196  0.61153196  0.55249532  1.0
  Te  Te11  1  0.38511125  0.38511125  0.45197604  1.0