data_BaPt2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   141.85
_cell_angle_beta   125.93
_cell_angle_gamma   68.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPt2Rh
_chemical_formula_sum   'Ba1 Pt2 Rh1'
_cell_volume   85.91
_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  0.54  0.28  1.0
  Pt  Pt1  1  0.0  0.0  0.32  1.0
  Pt  Pt2  1  0.83  0.0  0.35  1.0
  Rh  Rh3  1  0.0  0.0  0.31  1.0

data_BaPt2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.08
_cell_length_c   5.59
_cell_angle_alpha   117.04
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPt2Rh
_chemical_formula_sum   'Ba1 Pt2 Rh1'
_cell_volume   85.91
_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  0.72  0.26  0.26  1.0
  Pt  Pt1  1  0.47  0.65  0.47  1.0
  Pt  Pt2  1  0.68  0.68  0.68  1.0
  Rh  Rh3  1  0.69  0.69  0.69  1.0

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