# generated using pymatgen
data_ThVB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08429221
_cell_length_b   6.08429221
_cell_length_c   3.66755277
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.30993100
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThVB4
_chemical_formula_sum   'Th2 V2 B8'
_cell_volume   131.55523395
_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  0.30154505  0.69845495  -0.00000000  1.0
  Th  Th1  1  0.69845495  0.30154505  -0.00000000  1.0
  V  V2  1  0.16190671  0.16190671  -0.00000000  1.0
  V  V3  1  0.83809329  0.83809329  -0.00000000  1.0
  B  B4  1  0.37525785  0.06683492  0.50000000  1.0
  B  B5  1  0.62474215  0.93316508  0.50000000  1.0
  B  B6  1  0.06683492  0.37525785  0.50000000  1.0
  B  B7  1  0.93316508  0.62474215  0.50000000  1.0
  B  B8  1  0.36670241  0.36670241  0.50000000  1.0
  B  B9  1  0.63329759  0.63329759  0.50000000  1.0
  B  B10  1  0.08926817  0.91073183  0.50000000  1.0
  B  B11  1  0.91073183  0.08926817  0.50000000  1.0