data_BaNi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.89
_cell_angle_alpha   109.76
_cell_angle_beta   109.76
_cell_angle_gamma   59.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Rh
_chemical_formula_sum   'Ba1 Ni2 Rh1'
_cell_volume   84.66
_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  0.53  0.0  0.71  1.0
  Ni  Ni1  1  0.15  0.0  0.14  1.0
  Ni  Ni2  1  0.92  0.0  0.28  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_BaNi2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.25
_cell_length_c   5.89
_cell_angle_alpha   109.76
_cell_angle_beta   90.0
_cell_angle_gamma   119.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Rh
_chemical_formula_sum   'Ba1 Ni2 Rh1'
_cell_volume   84.66
_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  0.47  0.29  1.0
  Ni  Ni1  1  0.0  0.08  0.72  1.0
  Ni  Ni2  1  0.0  0.85  0.86  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Ba Ni Ni Rh
Ba Ni Ni Rh 0 3 + o + 1 3 o o o 1 2 - o o 