data_[Mg4B4Ir10W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7174]
_cell_length_b [9.7174]
_cell_length_c [2.9056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mg2B2Ir5W]
_chemical_formula_sum '[Mg4 B4 Ir10 W2]'
_cell_volume [274.3705]
_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  0.1779  0.6779  0.0000  1.0
  B  B1  4  0.1209  0.3791  0.0000  1.0
  Ir  Ir2  8  0.0716  0.2214  0.5000  1.0
  Ir  Ir3  2  0.0000  0.5000  0.5000  1.0
  W  W4  2  0.0000  0.0000  0.0000  1.0
]