data_Zr2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   104.33
_cell_angle_beta   104.33
_cell_angle_gamma   120.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ga
_chemical_formula_sum   'Zr4 Ga2'
_cell_volume   122.9
_cell_formula_units_Z   2
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  0.32  0.04  0.72  1.0
  Zr  Zr3  1  0.96  0.32  0.72  1.0
  Zr  Zr4  1  0.39  0.04  0.0  1.0
  Zr  Zr5  1  0.04  0.32  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.36  1.0
  Ga  Ga1  1  0.0  0.0  0.09  1.0

data_Zr2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.45
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   75.67
_cell_angle_beta   60.17
_cell_angle_gamma   60.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ga
_chemical_formula_sum   'Zr4 Ga2'
_cell_volume   122.9
_cell_formula_units_Z   2
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  0.04  0.0  0.36  1.0
  Zr  Zr1  1  0.31  0.72  0.29  1.0
  Zr  Zr2  1  0.32  0.0  0.71  1.0
  Zr  Zr3  1  0.6  0.72  0.64  1.0
  Ga  Ga4  1  0.64  0.36  0.0  1.0
  Ga  Ga5  1  0.91  0.09  0.0  1.0

Zr Zr Zr Zr Ga Ga