data_MgGaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.67
_cell_length_c   2.87
_cell_angle_alpha   82.37
_cell_angle_beta   73.26
_cell_angle_gamma   24.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaIr
_chemical_formula_sum   'Mg1 Ga1 Ir1'
_cell_volume   49.37
_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
  Mg  Mg2  1  0.59  0.39  0.74  1.0
  Ga  Ga0  1  0.59  0.39  0.81  1.0
  Ir  Ir1  1  0.59  0.39  0.36  1.0

data_MgGaIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.19
_cell_length_b   12.95
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   123.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGaIr
_chemical_formula_sum   'Mg2 Ga2 Ir2'
_cell_volume   98.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.39  0.0  0.67  1.0
  Ga  Ga1  2  0.39  0.0  0.6  1.0
  Ir  Ir2  2  0.39  0.0  0.05  1.0

Mg Ga Ir