data_TlRhSe2
_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   131.96
_cell_angle_beta   131.96
_cell_angle_gamma   70.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRhSe2
_chemical_formula_sum   'Tl1 Rh1 Se2'
_cell_volume   81.2
_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  0.16  0.0  0.17  1.0
  Rh  Rh0  1  0.0  0.0  0.34  1.0
  Se  Se1  1  0.0  0.16  0.17  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_TlRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.31
_cell_angle_alpha   114.02
_cell_angle_beta   114.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRhSe2
_chemical_formula_sum   'Tl1 Rh1 Se2'
_cell_volume   81.2
_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  0.83  0.0  0.99  1.0
  Rh  Rh1  1  0.66  0.0  0.66  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.99  0.16  0.99  1.0

Tl Rh Se Se