data_ZrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   149.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2
_chemical_formula_sum   'Zr2 Ga4'
_cell_volume   112.05
_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  Zr4  1  0.97  0.95  0.93  1.0
  Zr  Zr5  1  0.97  0.05  0.98  1.0
  Ga  Ga0  1  0.97  0.35  0.93  1.0
  Ga  Ga1  1  0.97  0.96  0.93  1.0
  Ga  Ga2  1  0.97  0.65  0.98  1.0
  Ga  Ga3  1  0.97  0.04  0.98  1.0

data_ZrGa2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.91
_cell_length_b   3.94
_cell_length_c   7.55
_cell_angle_alpha   105.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrGa2
_chemical_formula_sum   'Zr2 Ga4'
_cell_volume   112.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.48  0.05  0.55  1.0
  Ga  Ga1  2  0.48  0.04  0.54  1.0
  Ga  Ga2  2  0.48  0.65  0.15  1.0

Zr Zr Ga Ga Ga Ga