data_Tl2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   5.39
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   96.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TeAs
_chemical_formula_sum   'Tl2 Te1 As1'
_cell_volume   120.47
_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  0.59  0.0  0.41  1.0
  Tl  Tl3  1  0.3  0.69  0.82  1.0
  Te  Te1  1  0.76  0.69  0.76  1.0
  As  As0  1  0.8  0.0  0.69  1.0

data_Tl2TeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.39
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   96.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TeAs
_chemical_formula_sum   'Tl2 Te1 As1'
_cell_volume   120.47
_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  0.3  0.69  0.82  1.0
  Tl  Tl1  1  0.59  0.0  0.41  1.0
  Te  Te2  1  0.76  0.69  0.76  1.0
  As  As3  1  0.8  0.0  0.69  1.0

Tl Tl Te As