# generated using pymatgen
data_ThReB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08596008
_cell_length_b   6.08596008
_cell_length_c   3.74787000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.06519655
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThReB4
_chemical_formula_sum   'Th2 Re2 B8'
_cell_volume   134.65526047
_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  0.30062900  0.69937100  0.00000000  1.0
  Th  Th1  1  0.69937100  0.30062900  0.00000000  1.0
  Re  Re2  1  0.18243900  0.18243900  0.00000000  1.0
  Re  Re3  1  0.81756100  0.81756100  0.00000000  1.0
  B  B4  1  0.37454100  0.06429200  0.50000000  1.0
  B  B5  1  0.62545900  0.93570800  0.50000000  1.0
  B  B6  1  0.06429200  0.37454100  0.50000000  1.0
  B  B7  1  0.93570800  0.62545900  0.50000000  1.0
  B  B8  1  0.37193100  0.37193100  0.50000000  1.0
  B  B9  1  0.62806900  0.62806900  0.50000000  1.0
  B  B10  1  0.08907800  0.91092200  0.50000000  1.0
  B  B11  1  0.91092200  0.08907800  0.50000000  1.0