data_BaNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.81
_cell_angle_alpha   110.73
_cell_angle_beta   110.73
_cell_angle_gamma   34.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi5
_chemical_formula_sum   'Ba1 Ni5'
_cell_volume   96.47
_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  0.92  0.0  0.7  1.0
  Ni  Ni1  1  0.37  0.0  0.3  1.0
  Ni  Ni2  1  0.84  0.0  0.6  1.0
  Ni  Ni3  1  0.21  0.0  0.09  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.74  0.0  0.79  1.0

data_BaNi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.62
_cell_length_c   5.81
_cell_angle_alpha   110.73
_cell_angle_beta   90.0
_cell_angle_gamma   107.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi5
_chemical_formula_sum   'Ba1 Ni5'
_cell_volume   96.47
_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  0.08  0.3  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.16  0.4  1.0
  Ni  Ni3  1  0.0  0.26  0.21  1.0
  Ni  Ni4  1  0.0  0.63  0.7  1.0
  Ni  Ni5  1  0.0  0.79  0.91  1.0

Ba Ni Ni Ni Ni Ni