data_SnTe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   147.78
_cell_angle_beta   141.34
_cell_angle_gamma   51.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe2Rh
_chemical_formula_sum   'Sn1 Te2 Rh1'
_cell_volume   106.48
_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
  Sn  Sn1  1  0.0  0.0  0.18  1.0
  Te  Te2  1  0.9  0.0  0.98  1.0
  Te  Te3  1  0.0  0.27  0.2  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_SnTe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.53
_cell_length_c   6.85
_cell_angle_alpha   109.33
_cell_angle_beta   106.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe2Rh
_chemical_formula_sum   'Sn1 Te2 Rh1'
_cell_volume   106.48
_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
  Sn  Sn0  1  0.82  0.82  0.82  1.0
  Te  Te1  1  0.8  0.07  0.07  1.0
  Te  Te2  1  0.92  0.02  0.92  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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