data_TlCr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   136.15
_cell_angle_beta   136.15
_cell_angle_gamma   63.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Rh
_chemical_formula_sum   'Tl1 Cr2 Rh1'
_cell_volume   59.67
_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
  Tl  Tl3  1  0.0  0.0  0.26  1.0
  Cr  Cr0  1  0.0  0.87  0.13  1.0
  Cr  Cr1  1  0.87  0.0  0.13  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TlCr2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   121.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCr2Rh
_chemical_formula_sum   'Tl2 Cr4 Rh2'
_cell_volume   119.34
_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
  Tl  Tl0  2  0.0  0.0  0.26  1.0
  Cr  Cr1  4  0.06  0.06  0.26  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

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