data_BaZn2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Rh
_chemical_formula_sum   'Ba1 Zn2 Rh1'
_cell_volume   89.41
_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  0.75  0.75  0.83  1.0
  Zn  Zn2  1  0.75  0.75  0.04  1.0
  Zn  Zn3  1  0.0  0.0  0.29  1.0
  Rh  Rh1  1  0.0  0.0  0.12  1.0

data_BaZn2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaZn2Rh
_chemical_formula_sum   'Ba2 Zn4 Rh2'
_cell_volume   178.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.25  0.5  0.83  1.0
  Zn  Zn1  2  0.0  0.0  0.29  1.0
  Zn  Zn2  2  0.25  0.5  0.04  1.0
  Rh  Rh3  2  0.0  0.0  0.12  1.0

Ba Zn Zn Rh
Ba Zn Zn Rh 0 1 o o + 1 3 + + o 2 3 o o o 