data_Tl2VRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   134.33
_cell_angle_beta   134.33
_cell_angle_gamma   66.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VRh
_chemical_formula_sum   'Tl2 V1 Rh1'
_cell_volume   75.41
_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  Tl1  1  0.0  0.0  0.44  1.0
  Tl  Tl2  1  0.0  0.06  0.22  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.06  0.0  0.22  1.0

data_Tl2VRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.31
_cell_angle_alpha   112.84
_cell_angle_beta   112.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VRh
_chemical_formula_sum   'Tl2 V1 Rh1'
_cell_volume   75.41
_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  Tl0  1  0.16  0.22  0.16  1.0
  Tl  Tl1  1  0.44  0.44  0.44  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.22  0.16  0.16  1.0

Tl Tl V Rh
Tl Tl V Rh 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 