data_BaAgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.55
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgRh2
_chemical_formula_sum   'Ba1 Ag1 Rh2'
_cell_volume   90.59
_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  Ba1  1  0.69  0.28  0.6  1.0
  Ag  Ag0  1  0.25  0.0  0.7  1.0
  Rh  Rh2  1  0.94  0.0  0.47  1.0
  Rh  Rh3  1  0.22  0.28  0.32  1.0

data_BaAgRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.55
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgRh2
_chemical_formula_sum   'Ba1 Ag1 Rh2'
_cell_volume   90.59
_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  0.69  0.28  0.6  1.0
  Ag  Ag1  1  0.25  0.0  0.7  1.0
  Rh  Rh2  1  0.22  0.28  0.32  1.0
  Rh  Rh3  1  0.94  0.0  0.47  1.0

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