data_Ba2SrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   131.65
_cell_angle_beta   131.65
_cell_angle_gamma   70.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrRh
_chemical_formula_sum   'Ba2 Sr1 Rh1'
_cell_volume   147.44
_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  0.65  0.0  0.63  1.0
  Ba  Ba1  1  0.0  0.65  0.63  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.27  1.0

data_Ba2SrRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   125.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2SrRh
_chemical_formula_sum   'Ba4 Sr2 Rh2'
_cell_volume   294.88
_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  4  0.19  0.18  0.01  1.0
  Sr  Sr1  2  0.0  0.0  0.0  1.0
  Rh  Rh2  2  0.23  0.5  0.73  1.0

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