data_BaTl2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   130.14
_cell_angle_beta   130.14
_cell_angle_gamma   73.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Rh
_chemical_formula_sum   'Ba1 Tl2 Rh1'
_cell_volume   109.26
_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  0.63  1.0
  Tl  Tl2  1  0.43  0.0  0.31  1.0
  Tl  Tl3  1  0.0  0.43  0.31  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_BaTl2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   126.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTl2Rh
_chemical_formula_sum   'Ba2 Tl4 Rh2'
_cell_volume   218.52
_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  0.0  0.0  0.63  1.0
  Tl  Tl1  4  0.29  0.71  0.88  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

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