data_BaTc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   133.72
_cell_angle_beta   133.72
_cell_angle_gamma   67.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTc2Rh
_chemical_formula_sum   'Ba1 Tc2 Rh1'
_cell_volume   76.19
_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  0.4  1.0
  Tc  Tc2  1  0.08  0.0  0.2  1.0
  Tc  Tc3  1  0.0  0.08  0.2  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_BaTc2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   123.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTc2Rh
_chemical_formula_sum   'Ba2 Tc4 Rh2'
_cell_volume   152.38
_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  0.4  1.0
  Tc  Tc1  4  0.46  0.46  0.12  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

Ba Tc Tc Rh
Ba Tc Tc Rh 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 