data_Zr2TlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.47
_cell_angle_alpha   102.45
_cell_angle_beta   102.45
_cell_angle_gamma   35.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlGa
_chemical_formula_sum   'Zr2 Tl1 Ga1'
_cell_volume   87.77
_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  0.63  0.0  0.06  1.0
  Zr  Zr3  1  0.21  0.0  0.27  1.0
  Tl  Tl1  1  0.42  0.0  0.66  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_Zr2TlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.3
_cell_length_c   5.47
_cell_angle_alpha   102.45
_cell_angle_beta   90.0
_cell_angle_gamma   107.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlGa
_chemical_formula_sum   'Zr2 Tl1 Ga1'
_cell_volume   87.77
_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  Zr0  1  0.0  0.37  0.94  1.0
  Zr  Zr1  1  0.0  0.79  0.73  1.0
  Tl  Tl2  1  0.0  0.58  0.34  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Zr Zr Tl Ga