data_TcAg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   136.56
_cell_angle_beta   136.56
_cell_angle_gamma   63.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAg2Rh
_chemical_formula_sum   'Tc1 Ag2 Rh1'
_cell_volume   65.07
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.92  0.0  0.21  1.0
  Ag  Ag1  1  0.0  0.92  0.21  1.0
  Rh  Rh2  1  0.0  0.0  0.42  1.0

data_TcAg2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   121.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcAg2Rh
_chemical_formula_sum   'Tc2 Ag4 Rh2'
_cell_volume   130.15
_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
  Tc  Tc0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  4  0.04  0.96  0.29  1.0
  Rh  Rh2  2  0.0  0.0  0.42  1.0

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