data_Zr2AlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   139.71
_cell_angle_beta   135.27
_cell_angle_gamma   61.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlGa
_chemical_formula_sum   'Zr2 Al1 Ga1'
_cell_volume   78.44
_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  0.0  0.0  0.53  1.0
  Zr  Zr3  1  0.92  0.0  0.42  1.0
  Al  Al0  1  0.0  0.0  0.96  1.0
  Ga  Ga1  1  0.0  0.13  0.27  1.0

data_Zr2AlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.25
_cell_length_c   5.59
_cell_angle_alpha   112.37
_cell_angle_beta   110.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlGa
_chemical_formula_sum   'Zr2 Al1 Ga1'
_cell_volume   78.44
_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  0.47  0.47  0.47  1.0
  Zr  Zr1  1  0.5  0.58  0.5  1.0
  Al  Al2  1  0.04  0.04  0.04  1.0
  Ga  Ga3  1  0.73  0.86  0.86  1.0

Zr Zr Al Ga