data_MgGaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   135.0
_cell_angle_beta   135.0
_cell_angle_gamma   65.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaIr2
_chemical_formula_sum   'Mg1 Ga1 Ir2'
_cell_volume   59.93
_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  Mg3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.9  0.0  0.08  1.0
  Ir  Ir1  1  0.0  0.0  0.17  1.0
  Ir  Ir2  1  0.0  0.9  0.08  1.0

data_MgGaIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   4.96
_cell_angle_alpha   112.5
_cell_angle_beta   112.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaIr2
_chemical_formula_sum   'Mg1 Ga1 Ir2'
_cell_volume   59.93
_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  Mg0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.08  0.19  0.19  1.0
  Ir  Ir2  1  0.17  0.17  0.17  1.0
  Ir  Ir3  1  0.19  0.08  0.19  1.0

Mg Ga Ir Ir