data_BaTe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   7.37
_cell_angle_alpha   35.04
_cell_angle_beta   35.04
_cell_angle_gamma   35.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTe2Rh
_chemical_formula_sum   'Ba1 Te2 Rh1'
_cell_volume   118.07
_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  0.37  1.0
  Te  Te2  1  0.0  0.0  0.75  1.0
  Te  Te3  1  0.0  0.0  1.0  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_BaTe2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.69
_cell_length_b   4.44
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   110.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTe2Rh
_chemical_formula_sum   'Ba2 Te4 Rh2'
_cell_volume   236.14
_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
  Te  Te1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.0  0.0  0.25  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

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