data_GaIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   50.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIrCl2
_chemical_formula_sum   'Ga1 Ir1 Cl2'
_cell_volume   85.33
_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
  Ga  Ga2  1  0.0  0.0  0.54  1.0
  Ir  Ir3  1  0.98  0.0  0.91  1.0
  Cl  Cl0  1  0.0  0.0  0.86  1.0
  Cl  Cl1  1  0.98  0.0  0.68  1.0

data_GaIrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.53
_cell_length_c   5.28
_cell_angle_alpha   115.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIrCl2
_chemical_formula_sum   'Ga1 Ir1 Cl2'
_cell_volume   85.33
_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
  Ga  Ga0  1  0.0  0.54  0.54  1.0
  Ir  Ir1  1  0.02  0.91  0.91  1.0
  Cl  Cl2  1  0.0  0.86  0.86  1.0
  Cl  Cl3  1  0.02  0.68  0.68  1.0

Ga Ir Cl Cl
Ga Ir Cl Cl 0 3 - o o 1 2 + o o 