data_Tl2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   4.89
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TeAs
_chemical_formula_sum   'Tl2 Te1 As1'
_cell_volume   114.89
_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  0.95  1.0
  Tl  Tl3  1  0.65  0.45  0.06  1.0
  Te  Te1  1  0.65  0.45  0.25  1.0
  As  As0  1  0.0  0.0  0.51  1.0

data_Tl2TeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.89
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TeAs
_chemical_formula_sum   'Tl2 Te1 As1'
_cell_volume   114.89
_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  Tl0  1  0.0  0.0  0.95  1.0
  Tl  Tl1  1  0.65  0.45  0.06  1.0
  Te  Te2  1  0.65  0.45  0.25  1.0
  As  As3  1  0.0  0.0  0.51  1.0

Tl Tl Te As