data_YbTmS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   33.04
_cell_angle_beta   33.04
_cell_angle_gamma   33.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbTmS2
_chemical_formula_sum   'Yb1 Tm1 S2'
_cell_volume   84.12
_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
  Yb  Yb0  1  0.0  0.0  0.67  1.0
  Tm  Tm1  1  0.0  0.0  0.0  1.0
  S  S2  1  0.0  0.0  0.46  1.0
  S  S3  1  0.0  0.0  0.88  1.0

data_YbTmS2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.72
_cell_length_b   3.88
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   109.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YbTmS2
_chemical_formula_sum   'Yb2 Tm2 S4'
_cell_volume   168.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Yb  Yb0  2  -0.0  0.0  0.33  1.0
  Tm  Tm1  2  0.0  0.0  0.0  1.0
  S  S2  2  -0.0  0.0  0.54  1.0
  S  S3  2  -0.0  0.0  0.12  1.0

Yb Tm S S