data_ZrNbGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.79
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbGa2
_chemical_formula_sum   'Zr1 Nb1 Ga2'
_cell_volume   78.95
_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  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.98  0.0  0.79  1.0
  Ga  Ga0  1  0.96  0.39  0.4  1.0
  Ga  Ga1  1  0.99  0.39  0.18  1.0

data_ZrNbGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.79
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbGa2
_chemical_formula_sum   'Zr1 Nb1 Ga2'
_cell_volume   78.95
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.98  0.0  0.79  1.0
  Ga  Ga2  1  0.96  0.39  0.4  1.0
  Ga  Ga3  1  0.99  0.39  0.18  1.0

Zr Nb Ga Ga
Zr Nb Ga Ga 0 1 - o - 2 3 o o o 