data_SmTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64
_cell_length_b   8.64
_cell_length_c   8.64
_cell_angle_alpha   30.39
_cell_angle_beta   30.39
_cell_angle_gamma   30.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTlTe2
_chemical_formula_sum   'Sm1 Tl1 Te2'
_cell_volume   146.16
_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
  Sm  Sm0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.35  1.0
  Te  Te2  1  0.0  0.0  0.25  1.0
  Te  Te3  1  0.0  0.0  0.45  1.0

data_SmTlTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.84
_cell_length_b   4.53
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   107.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SmTlTe2
_chemical_formula_sum   'Sm2 Tl2 Te4'
_cell_volume   292.31
_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
  Sm  Sm0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.65  1.0
  Te  Te2  2  0.0  0.0  0.55  1.0
  Te  Te3  2  0.0  0.0  0.75  1.0

Sm Tl Te Te