data_Zr2VGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.18
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VGa
_chemical_formula_sum   'Zr2 V1 Ga1'
_cell_volume   76.6
_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  0.52  0.09  0.5  1.0
  Zr  Zr3  1  0.52  0.09  0.54  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.02  1.0

data_Zr2VGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.18
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VGa
_chemical_formula_sum   'Zr2 V1 Ga1'
_cell_volume   76.6
_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  0.52  0.09  0.5  1.0
  Zr  Zr1  1  0.52  0.09  0.54  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.02  1.0

Zr Zr V Ga
Zr Zr V Ga 0 1 o o o 2 3 o o o 