data_ZrTl2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.27
_cell_angle_alpha   110.04
_cell_angle_beta   110.04
_cell_angle_gamma   33.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Ga
_chemical_formula_sum   'Zr1 Tl2 Ga1'
_cell_volume   94.37
_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  Zr3  1  0.59  0.0  0.32  1.0
  Tl  Tl1  1  0.16  0.0  0.02  1.0
  Tl  Tl2  1  0.34  0.0  0.67  1.0
  Ga  Ga0  1  0.15  0.0  0.38  1.0

data_ZrTl2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.27
_cell_length_c   5.93
_cell_angle_alpha   110.04
_cell_angle_beta   106.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Ga
_chemical_formula_sum   'Zr1 Tl2 Ga1'
_cell_volume   94.37
_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  0.32  0.59  1.0
  Tl  Tl1  1  0.0  0.02  0.16  1.0
  Tl  Tl2  1  0.0  0.67  0.34  1.0
  Ga  Ga3  1  0.0  0.38  0.15  1.0

Zr Tl Tl Ga