data_[Mg4Ir2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9352]
_cell_length_b [3.3233]
_cell_length_c [4.9233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg2IrPb]
_chemical_formula_sum '[Mg4 Ir2 Pb2]'
_cell_volume [157.8244]
_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  0.0225  0.0000  0.0334  1
  Mg  Mg1  2  0.2495  0.0000  0.7586  1
  Ir  Ir2  2  0.2473  0.5000  0.2201  1
  Pb  Pb3  2  0.4807  0.0000  0.4879  1
]