data_TlTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   143.57
_cell_angle_beta   124.23
_cell_angle_gamma   68.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe2As
_chemical_formula_sum   'Tl1 Te2 As1'
_cell_volume   117.83
_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  0.16  1.0
  Te  Te1  1  0.0  0.92  0.1  1.0
  Te  Te2  1  0.95  0.0  0.06  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TlTe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.84
_cell_length_c   6.25
_cell_angle_alpha   117.89
_cell_angle_beta   108.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe2As
_chemical_formula_sum   'Tl1 Te2 As1'
_cell_volume   117.83
_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  0.84  0.84  0.84  1.0
  Te  Te1  1  0.89  0.94  0.89  1.0
  Te  Te2  1  0.9  0.82  0.82  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Tl Te Te As