data_MgIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   147.24
_cell_angle_beta   145.44
_cell_angle_gamma   48.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIrCl2
_chemical_formula_sum   'Mg1 Ir1 Cl2'
_cell_volume   91.88
_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
  Ir  Ir2  1  0.0  0.0  0.11  1.0
  Cl  Cl0  1  0.0  0.99  0.67  1.0
  Cl  Cl1  1  0.89  0.0  0.44  1.0

data_MgIrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.98
_cell_length_c   6.7
_cell_angle_alpha   107.28
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIrCl2
_chemical_formula_sum   'Mg1 Ir1 Cl2'
_cell_volume   91.88
_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
  Ir  Ir1  1  0.89  0.89  0.89  1.0
  Cl  Cl2  1  0.33  0.32  0.32  1.0
  Cl  Cl3  1  0.45  0.56  0.45  1.0

Mg Ir Cl Cl