data_Tl2GaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93
_cell_length_b   8.93
_cell_length_c   8.93
_cell_angle_alpha   26.53
_cell_angle_beta   26.53
_cell_angle_gamma   26.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaTe
_chemical_formula_sum   'Tl2 Ga1 Te1'
_cell_volume   125.16
_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
  Tl  Tl2  1  0.0  0.0  0.14  1.0
  Tl  Tl3  1  0.0  0.0  0.16  1.0
  Ga  Ga0  1  0.0  0.0  0.69  1.0
  Te  Te1  1  0.0  0.0  0.75  1.0

data_Tl2GaTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.1
_cell_length_b   4.1
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2GaTe
_chemical_formula_sum   'Tl4 Ga2 Te2'
_cell_volume   250.32
_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  0.84  1.0
  Tl  Tl1  2  -0.0  0.0  0.86  1.0
  Ga  Ga2  2  -0.0  0.0  0.31  1.0
  Te  Te3  2  -0.0  0.0  0.25  1.0

Tl Tl Ga Te
Tl Tl Ga Te 0 1 o o o 2 3 o o o 