data_CrGaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   147.17
_cell_angle_beta   130.29
_cell_angle_gamma   60.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaIr2
_chemical_formula_sum   'Cr1 Ga1 Ir2'
_cell_volume   56.08
_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
  Cr  Cr0  1  0.0  0.0  0.53  1.0
  Ga  Ga1  1  0.0  0.17  0.19  1.0
  Ir  Ir2  1  0.0  0.0  0.73  1.0
  Ir  Ir3  1  0.46  0.0  0.33  1.0

data_CrGaIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.33
_cell_length_c   5.15
_cell_angle_alpha   114.86
_cell_angle_beta   106.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaIr2
_chemical_formula_sum   'Cr1 Ga1 Ir2'
_cell_volume   56.08
_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
  Cr  Cr0  1  0.47  0.47  0.47  1.0
  Ga  Ga1  1  0.81  0.98  0.98  1.0
  Ir  Ir2  1  0.13  0.67  0.13  1.0
  Ir  Ir3  1  0.27  0.27  0.27  1.0

Cr Ga Ir Ir