data_TlGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.84
_cell_length_b   11.84
_cell_length_c   11.84
_cell_angle_alpha   16.46
_cell_angle_beta   16.46
_cell_angle_gamma   16.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaTe2
_chemical_formula_sum   'Tl1 Ga1 Te2'
_cell_volume   116.06
_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
  Tl  Tl3  1  0.0  0.0  0.51  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.05  1.0
  Te  Te2  1  0.0  0.0  0.97  1.0

data_TlGaTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   3.39
_cell_length_c   11.84
_cell_angle_alpha   90.0
_cell_angle_beta   99.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlGaTe2
_chemical_formula_sum   'Tl2 Ga2 Te4'
_cell_volume   232.11
_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
  Tl  Tl0  2  -0.0  0.0  0.49  1.0
  Ga  Ga1  2  -0.0  0.0  0.0  1.0
  Te  Te2  2  -0.0  0.0  0.03  1.0
  Te  Te3  2  0.0  0.0  0.95  1.0

Tl Ga Te Te