data_[Mg2As4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1830]
_cell_length_b [3.0679]
_cell_length_c [5.1898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgAs2Ir]
_chemical_formula_sum '[Mg2 As4 Ir2]'
_cell_volume [140.6360]
_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  0.2286  0.0000  0.7829  1
  As  As1  2  0.2752  0.5000  0.3206  1
  As  As2  2  0.4889  0.5000  0.9850  1
  Ir  Ir3  2  0.0074  0.5000  0.4115  1
]