data_BaYRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   121.82
_cell_angle_beta   119.59
_cell_angle_gamma   88.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYRh2
_chemical_formula_sum   'Ba1 Y1 Rh2'
_cell_volume   93.11
_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  0.0  0.65  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.48  0.0  0.8  1.0
  Rh  Rh2  1  0.0  0.57  0.85  1.0

data_BaYRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.41
_cell_angle_beta   60.91
_cell_angle_gamma   60.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYRh2
_chemical_formula_sum   'Ba1 Y1 Rh2'
_cell_volume   93.11
_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  0.0  0.65  1.0
  Y  Y1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.52  0.8  1.0
  Rh  Rh3  1  0.57  -0.0  0.28  1.0

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