data_TeRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   145.24
_cell_angle_beta   131.78
_cell_angle_gamma   60.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRh2Se
_chemical_formula_sum   'Te1 Rh2 Se1'
_cell_volume   72.1
_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
  Te  Te3  1  0.66  0.0  0.33  1.0
  Rh  Rh0  1  0.0  0.0  0.13  1.0
  Rh  Rh1  1  0.0  0.27  0.14  1.0
  Se  Se2  1  0.0  0.0  0.97  1.0

data_TeRh2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.54
_cell_length_c   5.55
_cell_angle_alpha   114.11
_cell_angle_beta   107.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRh2Se
_chemical_formula_sum   'Te1 Rh2 Se1'
_cell_volume   72.1
_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
  Te  Te0  1  0.33  0.67  0.33  1.0
  Rh  Rh1  1  0.86  0.13  0.13  1.0
  Rh  Rh2  1  0.87  0.87  0.87  1.0
  Se  Se3  1  0.03  0.03  0.03  1.0

Te Rh Rh Se
Te Rh Rh Se 0 1 o o o 0 1 + o o 0 3 o o - 0 3 + o o 0 2 o o o 0 2 + - o 0 2 + o + 1 3 o o - 2 3 o o - 