data_Tl2CuTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   7.73
_cell_angle_alpha   32.28
_cell_angle_beta   32.28
_cell_angle_gamma   32.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CuTe
_chemical_formula_sum   'Tl2 Cu1 Te1'
_cell_volume   116.96
_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  0.18  1.0
  Tl  Tl3  1  0.0  0.0  0.97  1.0
  Cu  Cu0  1  0.0  0.0  0.68  1.0
  Te  Te1  1  0.0  0.0  0.09  1.0

data_Tl2CuTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.44
_cell_length_b   4.3
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   108.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CuTe
_chemical_formula_sum   'Tl4 Cu2 Te2'
_cell_volume   233.91
_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  0.03  1.0
  Tl  Tl1  2  0.0  0.0  0.82  1.0
  Cu  Cu2  2  0.0  0.0  0.32  1.0
  Te  Te3  2  0.0  0.0  0.91  1.0

Tl Tl Cu Te
Tl Tl Cu Te 0 3 o o o 1 3 o o + 1 2 o o o 