data_Zr2NbGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   135.19
_cell_angle_beta   135.19
_cell_angle_gamma   65.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbGa
_chemical_formula_sum   'Zr2 Nb1 Ga1'
_cell_volume   79.67
_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  0.6  1.0
  Zr  Zr3  1  0.0  0.08  0.3  1.0
  Nb  Nb1  1  0.08  0.0  0.3  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_Zr2NbGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.46
_cell_angle_alpha   112.4
_cell_angle_beta   112.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbGa
_chemical_formula_sum   'Zr2 Nb1 Ga1'
_cell_volume   79.67
_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  0.22  0.3  0.22  1.0
  Zr  Zr1  1  0.6  0.6  0.6  1.0
  Nb  Nb2  1  0.3  0.22  0.22  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Zr Zr Nb Ga