data_[Mg2Ag4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4553]
_cell_length_b [3.0142]
_cell_length_c [4.8388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgAg2Ir]
_chemical_formula_sum '[Mg2 Ag4 Ir2]'
_cell_volume [133.9484]
_cell_formula_units_Z [2]
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  2  0.2444  0.0000  0.7247  1
  Ag  Ag1  2  0.2533  0.5000  0.2434  1
  Ag  Ag2  2  0.4991  0.5000  0.0126  1
  Ir  Ir3  2  0.0032  0.5000  0.5193  1
]