# generated using pymatgen
data_Ta2BH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26045435
_cell_length_b   3.26045316
_cell_length_c   5.17716125
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999200
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BH2
_chemical_formula_sum   'Ta2 B1 H2'
_cell_volume   47.66267878
_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
  Ta  Ta0  1  0.33333400  0.66666800  0.23525825  1.0
  Ta  Ta1  1  0.66666600  0.33333400  0.76474175  1.0
  B  B2  1  0.00000000  0.00000000  0.00000000  1.0
  H  H3  1  0.66666600  0.33333400  0.38647776  1.0
  H  H4  1  0.33333400  0.66666800  0.61352224  1.0