data_BaNbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   150.53
_cell_angle_beta   130.52
_cell_angle_gamma   58.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbNi2
_chemical_formula_sum   'Ba1 Nb1 Ni2'
_cell_volume   76.57
_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  0.5  0.0  0.09  1.0
  Nb  Nb1  1  0.0  0.0  0.13  1.0
  Ni  Ni2  1  0.5  0.0  0.05  1.0
  Ni  Ni3  1  0.0  0.0  0.19  1.0

data_BaNbNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.95
_cell_length_c   5.91
_cell_angle_alpha   114.74
_cell_angle_beta   104.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbNi2
_chemical_formula_sum   'Ba1 Nb1 Ni2'
_cell_volume   76.57
_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  0.0  0.09  0.58  1.0
  Nb  Nb1  1  0.0  0.13  0.13  1.0
  Ni  Ni2  1  0.0  0.05  0.55  1.0
  Ni  Ni3  1  0.0  0.19  0.19  1.0

Ba Nb Ni Ni