# generated using pymatgen
data_BaNiB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40874770
_cell_length_b   6.40874910
_cell_length_c   6.40874972
_cell_angle_alpha   145.78949322
_cell_angle_beta   145.78950840
_cell_angle_gamma   49.15954292
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiB2Ru
_chemical_formula_sum   'Ba1 Ni1 B2 Ru1'
_cell_volume   82.83216683
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.75000000  0.25000000  0.50000000  1.0
  B  B2  1  0.68169765  0.68169765  0.00000000  1.0
  B  B3  1  0.31830235  0.31830235  1.00000000  1.0
  Ru  Ru4  1  0.25000000  0.75000000  0.50000000  1.0