data_GaIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   4.24
_cell_angle_alpha   91.11
_cell_angle_beta   91.11
_cell_angle_gamma   31.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIr2Cl
_chemical_formula_sum   'Ga1 Ir2 Cl1'
_cell_volume   63.51
_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  Ga1  1  0.56  0.0  0.54  1.0
  Ir  Ir2  1  0.16  0.0  0.76  1.0
  Ir  Ir3  1  0.64  0.0  0.64  1.0
  Cl  Cl0  1  0.06  0.0  0.67  1.0

data_GaIr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.24
_cell_length_c   5.33
_cell_angle_alpha   91.11
_cell_angle_beta   105.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaIr2Cl
_chemical_formula_sum   'Ga1 Ir2 Cl1'
_cell_volume   63.51
_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  0.56  1.0
  Ir  Ir1  1  0.0  0.64  0.64  1.0
  Ir  Ir2  1  0.0  0.76  0.16  1.0
  Cl  Cl3  1  0.0  0.67  0.06  1.0

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