data_MgAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   3.98
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAsIr2
_chemical_formula_sum   'Mg1 As1 Ir2'
_cell_volume   61.8
_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  0.53  1.0
  As  As0  1  0.46  0.99  0.18  1.0
  Ir  Ir1  1  0.0  0.0  0.17  1.0
  Ir  Ir2  1  0.46  0.99  0.41  1.0

data_MgAsIr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.93
_cell_length_b   3.98
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgAsIr2
_chemical_formula_sum   'Mg1 As1 Ir2'
_cell_volume   61.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.53  1.0
  As  As1  1  0.46  0.0  0.18  1.0
  Ir  Ir2  1  0.0  0.0  0.17  1.0
  Ir  Ir3  1  0.46  0.0  0.41  1.0

Mg As Ir Ir