data_AlTlAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlAs2
_chemical_formula_sum   'Al1 Tl1 As2'
_cell_volume   91.23
_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
  Al  Al0  1  0.0  0.0  0.41  1.0
  Tl  Tl3  1  0.44  0.0  0.47  1.0
  As  As1  1  0.44  0.0  0.15  1.0
  As  As2  1  0.0  0.0  0.03  1.0

data_AlTlAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlAs2
_chemical_formula_sum   'Al1 Tl1 As2'
_cell_volume   91.23
_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
  Al  Al0  1  0.0  0.0  0.41  1.0
  Tl  Tl1  1  0.44  0.0  0.47  1.0
  As  As2  1  0.0  0.0  0.03  1.0
  As  As3  1  0.44  0.0  0.15  1.0

Al Tl As As