# generated using pymatgen
data_Th(CrB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.10936544
_cell_length_b   5.52650597
_cell_length_c   5.52650511
_cell_angle_alpha   72.70564675
_cell_angle_beta   73.66138563
_cell_angle_gamma   73.66136933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(CrB3)2
_chemical_formula_sum   'Th1 Cr2 B6'
_cell_volume   84.96242868
_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
  Th  Th0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Cr  Cr1  1  0.84564553  0.65435447  0.65435447  1.0
  Cr  Cr2  1  0.15435447  0.34564553  0.34564553  1.0
  B  B3  1  0.69652106  0.53957396  0.06738393  1.0
  B  B4  1  0.30347894  0.46042604  0.93261607  1.0
  B  B5  1  0.30347894  0.93261607  0.46042604  1.0
  B  B6  1  0.50000000  0.35925848  0.64074152  1.0
  B  B7  1  0.50000000  0.64074152  0.35925848  1.0
  B  B8  1  0.69652106  0.06738393  0.53957396  1.0