data_[Mg4Sc10Zn2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.9410]
_cell_length_b [10.9410]
_cell_length_c [3.5429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mg2Sc5ZnIr2]
_chemical_formula_sum '[Mg4 Sc10 Zn2 Ir4]'
_cell_volume [424.1045]
_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  4  0.1742  0.6742  0.0000  1.0
  Sc  Sc1  8  0.0725  0.2010  0.5000  1.0
  Sc  Sc2  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  4  0.1305  0.3695  0.0000  1.0
]