# generated using pymatgen
data_TaNiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.10772925
_cell_length_b   5.99753863
_cell_length_c   8.13804880
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNiB2
_chemical_formula_sum   'Ta4 Ni4 B8'
_cell_volume   151.68286362
_cell_formula_units_Z   4
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  0.25000000  0.63295291  0.36719106  1.0
  Ta  Ta1  1  0.75000000  0.36704709  0.63280894  1.0
  Ta  Ta2  1  0.25000000  0.13295291  0.13280894  1.0
  Ta  Ta3  1  0.75000000  0.86704709  0.86719106  1.0
  Ni  Ni4  1  0.75000000  0.99924110  0.38430724  1.0
  Ni  Ni5  1  0.75000000  0.49924110  0.11569276  1.0
  Ni  Ni6  1  0.25000000  0.00075890  0.61569276  1.0
  Ni  Ni7  1  0.25000000  0.50075890  0.88430724  1.0
  B  B8  1  0.25000000  0.67173478  0.66825947  1.0
  B  B9  1  0.75000000  0.32826522  0.33174053  1.0
  B  B10  1  0.25000000  0.17173478  0.83174053  1.0
  B  B11  1  0.75000000  0.82826522  0.16825947  1.0
  B  B12  1  0.25000000  0.74104531  0.07573018  1.0
  B  B13  1  0.75000000  0.75895469  0.57573018  1.0
  B  B14  1  0.25000000  0.24104531  0.42426982  1.0
  B  B15  1  0.75000000  0.25895469  0.92426982  1.0