data_ZrTlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.17
_cell_length_c   3.4
_cell_angle_alpha   77.35
_cell_angle_beta   71.16
_cell_angle_gamma   31.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlGa
_chemical_formula_sum   'Zr1 Tl1 Ga1'
_cell_volume   65.58
_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
  Zr  Zr2  1  0.14  0.64  0.01  1.0
  Tl  Tl1  1  0.14  0.64  0.62  1.0
  Ga  Ga0  1  0.14  0.64  0.51  1.0

data_ZrTlGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   11.57
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   129.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTlGa
_chemical_formula_sum   'Zr2 Tl2 Ga2'
_cell_volume   131.16
_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
  Zr  Zr0  2  0.14  0.0  0.15  1.0
  Tl  Tl1  2  0.14  0.0  0.76  1.0
  Ga  Ga2  2  0.14  0.0  0.65  1.0

Zr Tl Ga