data_Tl2Ga2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44
_cell_length_b   9.44
_cell_length_c   9.44
_cell_angle_alpha   157.04
_cell_angle_beta   157.04
_cell_angle_gamma   32.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Ga2As
_chemical_formula_sum   'Tl2 Ga2 As1'
_cell_volume   127.96
_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  0.77  1.0
  Tl  Tl4  1  0.0  0.0  0.35  1.0
  Ga  Ga1  1  0.0  0.88  0.53  1.0
  Ga  Ga2  1  0.88  0.0  0.53  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Tl2Ga2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   106.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2Ga2As
_chemical_formula_sum   'Tl4 Ga4 As2'
_cell_volume   255.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.27  0.5  0.77  1.0
  Tl  Tl1  2  0.35  0.0  0.35  1.0
  Ga  Ga2  4  0.09  0.44  0.65  1.0
  As  As3  2  0.0  0.0  0.0  1.0

Tl Tl Ga Ga As