data_TlSi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2As
_chemical_formula_sum   'Tl1 Si2 As1'
_cell_volume   84.51
_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  0.84  0.0  0.58  1.0
  Si  Si1  1  0.84  0.0  0.81  1.0
  Si  Si2  1  0.0  0.0  0.19  1.0
  As  As0  1  0.0  0.0  0.67  1.0

data_TlSi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2As
_chemical_formula_sum   'Tl1 Si2 As1'
_cell_volume   84.51
_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  0.0  0.58  1.0
  Si  Si1  1  0.0  0.0  0.19  1.0
  Si  Si2  1  0.84  0.0  0.81  1.0
  As  As3  1  0.0  0.0  0.67  1.0

Tl Si Si As