data_ZrIn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Ga
_chemical_formula_sum   'Zr1 In2 Ga1'
_cell_volume   89.39
_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  0.52  0.52  0.0  1.0
  In  In1  1  0.0  0.52  0.76  1.0
  In  In2  1  0.52  0.0  0.76  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_ZrIn2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrIn2Ga
_chemical_formula_sum   'Zr2 In4 Ga2'
_cell_volume   178.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.02  0.5  0.0  1.0
  In  In1  4  0.26  0.26  0.76  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0

Zr In In Ga
Zr In In Ga 0 1 o o - 0 1 + o - 0 2 o o - 0 2 o + - 1 3 o o + 1 3 o + + 2 3 o o + 2 3 + o + 