data_TaRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   147.52
_cell_angle_beta   134.21
_cell_angle_gamma   57.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRhSe2
_chemical_formula_sum   'Ta1 Rh1 Se2'
_cell_volume   67.86
_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
  Ta  Ta3  1  0.0  0.19  0.0  1.0
  Rh  Rh0  1  0.0  0.0  0.42  1.0
  Se  Se1  1  0.0  0.19  0.76  1.0
  Se  Se2  1  0.0  0.0  0.62  1.0

data_TaRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.37
_cell_length_c   5.62
_cell_angle_alpha   112.9
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRhSe2
_chemical_formula_sum   'Ta1 Rh1 Se2'
_cell_volume   67.86
_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
  Ta  Ta0  1  1.0  0.19  0.19  1.0
  Rh  Rh1  1  0.58  0.58  0.58  1.0
  Se  Se2  1  0.24  0.43  0.43  1.0
  Se  Se3  1  0.38  0.38  0.38  1.0

Ta Rh Se Se
Ta Rh Se Se 0 3 o o - 0 2 o o - 1 2 o o o 1 3 o o o 2 3 o o o 